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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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)
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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)
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外消旋托法替尼CAS号 : 1259404-17-5 Compound CID : 9926791分子式: C16H20N6O 分子量: 312.377IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrileSMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#NInChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-NInChI: InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1