小分子和化合物库
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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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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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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)
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替洛利生CAS号 : 362665-56-3 Compound CID : 9948102分子式: C17H26ClNO 分子量: 295.85IUPAC Name: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidineSMILES: C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)ClInChIKey: NNACHAUCXXVJSP-UHFFFAOYSA-NInChI: InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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法莫替丁CAS号 : 76824-35-6 Compound CID : 5702160分子式: C8H15N7O2S3 分子量: 337.45IUPAC Name: 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamideSMILES: C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)NInChIKey: XUFQPHANEAPEMJ-UHFFFAOYSA-NInChI: InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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JNJ39758979,组胺H4受体拮抗剂CAS号 : 1046447-90-8 Compound CID : 24994634分子式: C11H19N5 分子量: 221.30IUPAC Name: 4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amineSMILES: CC(C)C1=CC(=NC(=N1)N)N2CCC(C2)NInChIKey: COOGVHJHSCBOQT-MRVPVSSYSA-NInChI: InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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雷尼替丁CAS号 : 66357-35-5 Compound CID : 3001055分子式: C13H22N4O3S 分子量: 314.39IUPAC Name: (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamineSMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)CInChIKey: VMXUWOKSQNHOCA-UKTHLTGXSA-NInChI: InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
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硫替丁CAS号 : 69014-14-8 Compound CID : 50287分子式: C10H16N8S2 分子量: 312.41IUPAC Name: 1-cyano-3-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-methylguanidineSMILES: CN=C(NCCSCC1=CSC(=N1)N=C(N)N)NC#NInChIKey: YDDXVAXDYKBWDX-UHFFFAOYSA-NInChI: InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
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布立马胺CAS号 : 34970-69-9 Compound CID : 3032915分子式: C9H16N4S•C2H2O4 分子量: 302.35IUPAC Name: 1-[4-(1H-imidazol-5-yl)butyl]-3-methylthioureaSMILES: CNC(=S)NCCCCC1=CN=CN1InChIKey: HXRBAVXGYZUSED-UHFFFAOYSA-NInChI: InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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