化学生物学
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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
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盐酸法倔唑CAS号 : 102676-31-3 Compound CID : 59694分子式: C14H13N3·HCl 分子量: 259.73IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochlorideSMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.ClInChIKey: UKCVAQGKEOJTSR-UHFFFAOYSA-NInChI: InChI=1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
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1-(4-硝基苄基)-1H-咪唑CAS号 : 18994-90-6 Compound CID : 585819分子式: C10H9N3O2 分子量: 203.2IUPAC Name: 1-[(4-nitrophenyl)methyl]imidazoleSMILES: C1=CC(=CC=C1CN2C=CN=C2)[N+](=O)[O-]InChIKey: FLYGQJXMRPZYHQ-UHFFFAOYSA-NInChI: InChI=1S/C10H9N3O2/c14-13(15)10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8H,7H2
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1-(4-溴苄基)-1H-咪唑CAS号 : 72459-46-2 Compound CID : 2989557分子式: C10H9BrN2 分子量: 237.1IUPAC Name: 1-[(4-bromophenyl)methyl]imidazoleSMILES: C1=CC(=CC=C1CN2C=CN=C2)BrInChIKey: MZJSYLIOMLCYIS-UHFFFAOYSA-NInChI: InChI=1S/C10H9BrN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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Telotristat,色氨酸羟化酶抑制剂CAS号 : 1033805-22-9 Compound CID : 25181577分子式: C27H26ClF3N6O3 分子量: 574.99IUPAC Name: ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoateSMILES: CCOC(=O)C(CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)OC(C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)NInChIKey: MDSQOJYHHZBZKA-GBXCKJPGSA-NInChI: InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1