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西咪替丁CAS号 : 51481-61-9 Compound CID : 2756分子式: C10H16N6S 分子量: 252.34IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidineSMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#NInChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-NInChI: InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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N-去甲基洛哌丁胺CAS号 : 66164-07-6 Compound CID : 9805944分子式: C28H31ClN2O2 分子量: 463.01IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamideSMILES: CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4InChIKey: ZMOPTLXEYOVARP-UHFFFAOYSA-NInChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
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舒洛地尔CAS号 : 54767-75-8 Compound CID : 657255分子式: C20H35NOS 分子量: 337.56IUPAC Name: (1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-olSMILES: CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)OInChIKey: BFCDFTHTSVTWOG-YLJYHZDGSA-NInChI: InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
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BX-795CAS号 : 702675-74-9(DMSO)分子式: C23H26IN7O2S 分子量: 591.47SMILES: IC1=CN=C(NC2=CC(=CC=C2)NC(=O)N3CCCC3)N=C1NCCCNC(=O)C4=CC=CS4
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Tozasertib (VX-680, MK-0457)CAS号 : 639089-54-6(DMSO)分子式: C23H28N8OS 分子量: 464.59SMILES: CN1CCN(CC1)C2=NC(=NC(=C2)NC3=N[NH]C(=C3)C)SC4=CC=C(NC(=O)C5CC5)C=C4
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法莫替丁CAS号 : 76824-35-6(DMSO)分子式: C8H15N7O2S3 分子量: 337.45SMILES: NC(=N)NC1=NC(=CS1)CSCCC(=N)N[S](N)(=O)=O
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GSK8612CAS号 : 2361659-62-1 Compound CID : 137553174分子式: C17H17BrF3N7O2S 分子量: 520.33IUPAC Name: 4-[[[5-bromo-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamideSMILES: CC1=NN(C=C1NC2=NC=C(C(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N)Br)CC(F)(F)FInChIKey: FFPHMUIGESPOTK-UHFFFAOYSA-NInChI: InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)
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舒美地尔CAS号 : 54767-75-8 Compound CID : 657255分子式: C20H35NOS 分子量: 337.56IUPAC Name: (1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-olSMILES: CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)OInChIKey: BFCDFTHTSVTWOG-YLJYHZDGSA-NInChI: InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
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甲硫米特CAS号 : 34839-70-8 Compound CID : 1548992分子式: C9H16N4S2 分子量: 244.38IUPAC Name: 1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thioureaSMILES: CC1=C(N=CN1)CSCCNC(=S)NCInChIKey: FPBPLBWLMYGIQR-UHFFFAOYSA-NInChI: InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
