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吗氯贝胺CAS号: 71320-77-9 EC号: MFCD00865388分子式: C13H17ClN2O2 分子量: 268.74IUPAC Name: 4-chloro-N-(2-morpholin-4-ylethyl)benzamideSMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)ClInChIKey: YHXISWVBGDMDLQ-UHFFFAOYSA-NInChI: 1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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甲磺酸雷沙吉兰CAS号: 161735-79-1 Compound CID : 3052775分子式: C12H13N·CH4O3S 分子量: 267.34IUPAC Name: methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amineSMILES: CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12InChIKey: JDBJJCWRXSVHOQ-UTONKHPSSA-NInChI: 1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1
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渥曼青霉素CAS号: 19545-26-7 Compound CID : 312145分子式: C23H24O8 分子量: 428.43IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetateSMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)CInChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-NInChI: 1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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丁卡因分子式: C15H24N2O2 分子量: 264.37IUPAC Name: 2-(dimethylamino)ethyl 4-(butylamino)benzoateSMILES: CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)CInChIKey: GKCBAIGFKIBETG-UHFFFAOYSA-NInChI: 1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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萘丁美酮CAS号: 42924-53-8分子式: C15H16O2 分子量: 228.29IUPAC Name: 4-(6-methoxynaphthalen-2-yl)butan-2-oneSMILES: CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OCInChIKey: BLXXJMDCKKHMKV-UHFFFAOYSA-NInChI: 1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
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NSC781406CAS号: 1676893-24-5 Compound CID : 127025628分子式: C29H27F2N5O5S2 分子量: 627.68IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-[4-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinolin-6-yl]pyridin-3-yl]benzenesulfonamideSMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCN4CCN(CC4)S(=O)(=O)C)NS(=O)(=O)C5=C(C=C(C=C5)F)FInChIKey: BBRINJUWZRLWKK-UHFFFAOYSA-NInChI: 1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3
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PF-04979064CAS号: 1220699-06-8 Compound CID : 46866705分子式: C24H26N6O3 分子量: 446.5IUPAC Name: 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(6-methylpyridin-3-yl)imidazo[4,5-c][1,5]naphthyridin-2-oneSMILES: CC1=NC=C(C=C1)C2=NC3=C4C(=CN=C3C=C2)N(C(=O)N4C5CCN(CC5)C(=O)C(C)O)CInChIKey: GACQNUHFDBEIQH-HNNXBMFYSA-NInChI: 1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
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hSMG-1 inhibitor 11jCAS号: 1402452-15-6 Compound CID : 71458575分子式: C27H28ClN7O3S 分子量: 566.07IUPAC Name: 1-[4-[4-[2-[4-chloro-3-(diethylsulfamoyl)anilino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methylureaSMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)C4=CC=C(C=C4)NC(=O)NC)ClInChIKey: RZFJBSIAXYEPBX-UHFFFAOYSA-NInChI: 1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)
