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(+)-(S)-3-羟基丁酸甲酯CAS号 : 53562-86-0 Compound CID : 6950307分子式: C5H10O3 分子量: 118.13IUPAC Name: methyl (3S)-3-hydroxybutanoateSMILES: CC(CC(=O)OC)OInChIKey: LDLDJEAVRNAEBW-BYPYZUCNSA-NInChI: InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1
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(+)-叔-D-乳酸丁酯CAS号 : 68166-83-6 Compound CID : 10953655分子式: C7H14O3 分子量: 146.18IUPAC Name: tert-butyl (2R)-2-hydroxypropanoateSMILES: CC(C(=O)OC(C)(C)C)OInChIKey: IXXMVXXFAJGOQO-RXMQYKEDSA-NInChI: InChI=1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3/t5-/m1/s1
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(1R,2R)-反式-2-乙酰氧基-1-环戊醇CAS号 : 105663-22-7 Compound CID : 12483669分子式: C7H12O3 分子量: 144.17IUPAC Name: [(1R,2R)-2-hydroxycyclopentyl] acetateSMILES: CC(=O)OC1CCCC1OInChIKey: YRJFZPSFQDTFRK-RNFRBKRXSA-NInChI: InChI=1S/C7H12O3/c1-5(8)10-7-4-2-3-6(7)9/h6-7,9H,2-4H2,1H3/t6-,7-/m1/s1
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(R)-3-甲基-2-酮基哌嗪CAS号 : 922178-61-8 Compound CID : 16213757分子式: C5H10N2O 分子量: 114.15IUPAC Name: (3R)-3-methylpiperazin-2-oneSMILES: CC1C(=O)NCCN1InChIKey: BSPUWRUTIOUGMZ-SCSAIBSYSA-NInChI: InChI=1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
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(S)-3-甲基-2-酮基哌嗪CAS号 : 78551-38-9 Compound CID : 13190462分子式: C5H10N2O 分子量: 114.15IUPAC Name: (3S)-3-methylpiperazin-2-oneSMILES: CC1C(=O)NCCN1InChIKey: BSPUWRUTIOUGMZ-BYPYZUCNSA-NInChI: InChI=1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
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(R)-3,3'-双[3,5-双(三氟甲基)苯基] -5,5',6,6',7,7',8,8'-八氢-1,1'-联萘基-2,2'-二基磷酸氢酯CAS号 : 1011465-24-9 Compound CID : 23110722分子式: C36H25F12O4P 分子量: 780.5IUPAC Name: 10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxideSMILES: C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)FInChIKey: INSXQFYWKHPSHX-UHFFFAOYSA-NInChI: InChI=1S/C36H25F12O4P/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)52-53(49,50)51-31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16H,1-8H2,(H,49,50)
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N-[(1S,2S)-2-[双(苯基甲基)氨基]环己基]-N''-[3,5-双(三氟甲基)苯基]硫脲CAS号 : 1233369-39-5 Compound CID : 127256036分子式: C29H29F6N3S 分子量: 565.6IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dibenzylamino)cyclohexyl]thioureaSMILES: C1CCC(C(C1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N(CC3=CC=CC=C3)CC4=CC=CC=C4InChIKey: SJJKVSGWNLVFSL-UIOOFZCWSA-NInChI: InChI=1S/C29H29F6N3S/c30-28(31,32)22-15-23(29(33,34)35)17-24(16-22)36-27(39)37-25-13-7-8-14-26(25)38(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21/h1-6,9-12,15-17,25-26H,7-8,13-14,18-19H2,(H2,36,37,39)/t25-,26-/m0/s1
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N-[(1R,2R)-2-氨基环己基]-N'-[(8α,9S)-6'-甲氧基奎宁-9-基]硫脲CAS号 : 1052184-48-1 Compound CID : 25208639分子式: C27H37N5OS 分子量: 479.7IUPAC Name: 1-[(1R,2R)-2-aminocyclohexyl]-3-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thioureaSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)NC(=S)NC5CCCCC5NInChIKey: NFEJIKCPWWZIFG-VCACTVQNSA-NInChI: InChI=1S/C27H37N5OS/c1-3-17-16-32-13-11-18(17)14-25(32)26(31-27(34)30-24-7-5-4-6-22(24)28)20-10-12-29-23-9-8-19(33-2)15-21(20)23/h3,8-10,12,15,17-18,22,24-26H,1,4-7,11,13-14,16,28H2,2H3,(H2,30,31,34)/t17-,18-,22+,24+,25-,26-/m0/s1
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3-[[3,5-双(三氟甲基)苯基]氨基]-4-[[((2S)-2-吡咯烷基甲基]氨基]-3-环丁烯-1,2-二酮CAS号 : 1356935-80-2 Compound CID : 57337789分子式: C17H15F6N3O2 分子量: 407.3IUPAC Name: 3-[3,5-bis(trifluoromethyl)anilino]-4-[[(2S)-pyrrolidin-2-yl]methylamino]cyclobut-3-ene-1,2-dioneSMILES: C1CC(NC1)CNC2=C(C(=O)C2=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FInChIKey: UGWHNGHXJQANLX-JTQLQIEISA-NInChI: InChI=1S/C17H15F6N3O2/c18-16(19,20)8-4-9(17(21,22)23)6-11(5-8)26-13-12(14(27)15(13)28)25-7-10-2-1-3-24-10/h4-6,10,24-26H,1-3,7H2/t10-/m0/s1