化学生物学
选项
-
钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
-
2-氨基-6-(硫代三氟甲氧基)苯并噻唑分子式: C8H5F3N2S2 分子量: 250.27IUPAC Name: 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amineSMILES: C1=CC2=C(C=C1SC(F)(F)F)SC(=N2)NInChIKey: PBRVVEXJMLEKMJ-UHFFFAOYSA-NInChI: InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
-
-
UCN-01,PKC抑制剂CAS号 : 112953-11-4 Compound CID : 72271分子式: C28H26N4O4 分子量: 482.53IUPAC Name: (2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-oneSMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OCInChIKey: PBCZSGKMGDDXIJ-HQCWYSJUSA-NInChI: InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
-
MMV-390048,PI4K抑制剂CAS号 : 1314883-11-8 Compound CID : 53311393分子式: C18H14F3N3O2S 分子量: 393.383IUPAC Name: 5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-amineSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(N=C2)N)C3=CN=C(C=C3)C(F)(F)FInChIKey: RTJQABCNNLMCJF-UHFFFAOYSA-NInChI: InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
-
氟西汀CAS号 : 54910-89-3分子式: C17H18F3NO 分子量: 309.33IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineSMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)FInChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-NInChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
-
磺胺琥珀酸分子式: C10H12N2O5S 分子量: 272.282IUPAC Name: 4-oxo-4-(4-sulfamoylanilino)butanoic acidSMILES: C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NInChIKey: RXXXPZYBZLDQKP-UHFFFAOYSA-NInChI: InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
-
Tolterodine-L-酒石酸盐CAS号 : 124937-51-5 Compound CID : 443879分子式: C22H31NO 分子量: 325.5IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenolSMILES: CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2InChIKey: OOGJQPCLVADCPB-HXUWFJFHSA-NInChI: InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
-
N-(4-羰苯基)邻苯二甲酰亚胺分子式: C15H9NO4 分子量: 267.243IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)benzoic acidSMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OInChIKey: HBXCMGPWVGKNRS-UHFFFAOYSA-NInChI: InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)
-
-
Traxoprodil (CP101,606),NMDA 拮抗剂CAS号 : 134234-12-1 Compound CID : 219101分子式: C20H25NO3 分子量: 327.42IUPAC Name: 1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-olSMILES: CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)OInChIKey: QEMSVZNTSXPFJA-HNAYVOBHSA-NInChI: InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
-
CORT-108297CAS号 : 1018679-79-2 Compound CID : 44454750分子式: C26H25F4N3O3S 分子量: 535.55IUPAC Name: (4aR)-4a-(ethoxymethyl)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolineSMILES: CCOC[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)N(N=C3)C5=CC=C(C=C5)FInChIKey: SLKURXRZHJOZOD-RUZDIDTESA-NInChI: InChI=1S/C26H25F4N3O3S/c1-2-36-17-25-14-18-15-31-33(22-7-5-21(27)6-8-22)24(18)13-20(25)11-12-32(16-25)37(34,35)23-9-3-19(4-10-23)26(28,29)30/h3-10,13,15H,2,11-12,14,16-17H2,1H3/t25-/m1/s1