化学生物学
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Tolterodine-L-酒石酸盐CAS号 : 124937-51-5 Compound CID : 443879分子式: C22H31NO 分子量: 325.5IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenolSMILES: CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2InChIKey: OOGJQPCLVADCPB-HXUWFJFHSA-NInChI: InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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N-[1-(2-苯并[B]噻嗯-2-基)环己基)]哌啶马来酸(BTCP HCl)CAS号 : 112726-66-6 Compound CID : 123692分子式: C19H25NS 分子量: 299.5IUPAC Name: 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidineSMILES: C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4InChIKey: RGSVXQJPSWZXOP-UHFFFAOYSA-NInChI: InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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5-溴异喹啉-6-胺CAS号 : 566943-98-4 Compound CID : 44276622分子式: C9H7BrN2 分子量: 223.07IUPAC Name: 5-bromoisoquinolin-6-amineSMILES: C1=CC(=C(C2=C1C=NC=C2)Br)NInChIKey: JDEBLBVBKMBILY-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrN2/c10-9-7-3-4-12-5-6(7)1-2-8(9)11/h1-5H,11H2
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依拉嗪,EleclazineCAS号 : 1443211-72-0 Compound CID : 71183216分子式: C21H16F3N3O3 分子量: 415.372IUPAC Name: 4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-oneSMILES: C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)N1CC4=NC=CC=N4InChIKey: YNUAEEJQYHYLMS-UHFFFAOYSA-NInChI: InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2
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1-(3,4-二氯苯基)-3-氮杂双环[3.1.0]己烷CAS号 : 66504-40-3 Compound CID : 9795276分子式: C11H11Cl2N 分子量: 228.12IUPAC Name: 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexaneSMILES: C1C2C1(CNC2)C3=CC(=C(C=C3)Cl)ClInChIKey: BSMNRYCSBFHEMQ-UHFFFAOYSA-NInChI: InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2