小分子和化合物库

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  1. 厄达替尼(JNJ-42756493)
    CAS号: 1346242-81-6        EC号: 807-395-6
    分子式: C25H30N6O2        分子量: 446.54
    IUPAC Name: N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
    SMILES: CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC
    InChIKey: OLAHOMJCDNXHFI-UHFFFAOYSA-N
    InChI: 1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
  2. 5-Me-2'-OMe-C(Bz) 亚磷酰胺单体
    CAS号: 166593-57-3
    分子式: C48H56N5O9P        分子量: 877.98
    IUPAC Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
    SMILES: CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)C3C(C(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)OC
    InChIKey: GIWYLFDPXKHBKT-AENBYTAOSA-N
    InChI: 1S/C48H56N5O9P/c1-32(2)53(33(3)4)63(60-29-15-28-49)62-42-41(61-46(43(42)58-8)52-30-34(5)44(51-47(52)55)50-45(54)35-16-11-9-12-17-35)31-59-48(36-18-13-10-14-19-36,37-20-24-39(56-6)25-21-37)38-22-26-40(See more
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