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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SB 265610,CXCR2拮抗剂CAS号 : 211096-49-0 Compound CID : 9841667分子式: C14H9BrN6O 分子量: 357.16IUPAC Name: 1-(2-bromophenyl)-3-(7-cyano-2H-benzotriazol-4-yl)ureaSMILES: C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C3=NNN=C23)C#N)BrInChIKey: SEDUMQWZEOMXSO-UHFFFAOYSA-NInChI: InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)
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SB 332235,CXCR2拮抗剂CAS号 : 276702-15-9 Compound CID : 9887803分子式: C13H10Cl3N3O4S 分子量: 410.66IUPAC Name: 1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)ureaSMILES: C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)OInChIKey: WTLRWOHEKQGKDS-UHFFFAOYSA-NInChI: InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
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NVP CXCR2 20,CXCR2拮抗剂CAS号 : 1029521-30-9 Compound CID : 135907764分子式: C15H11F2N3OS 分子量: 319.33IUPAC Name: 4-cyclopropyl-2-[(2,3-difluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrileSMILES: C1CC1C2=C(C(=O)NC(=N2)SCC3=C(C(=CC=C3)F)F)C#NInChIKey: PHHZYKZFEBRXAL-UHFFFAOYSA-NInChI: InChI=1S/C15H11F2N3OS/c16-11-3-1-2-9(12(11)17)7-22-15-19-13(8-4-5-8)10(6-18)14(21)20-15/h1-3,8H,4-5,7H2,(H,19,20,21)
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AZ 10397767,CXCR2拮抗剂CAS号 : 333742-63-5 Compound CID : 11858154分子式: C15H14ClFN4O2S2 分子量: 400.88IUPAC Name: 5-[(3-chloro-2-fluorophenyl)methylsulfanyl]-7-[[(2R)-1-hydroxypropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-oneSMILES: CC(CO)NC1=NC(=NC2=C1SC(=O)N2)SCC3=C(C(=CC=C3)Cl)FInChIKey: KHTUORKUWBDRBX-SSDOTTSWSA-NInChI: InChI=1S/C15H14ClFN4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1
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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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SB225002CAS号 : 182498-32-4(DMSO)分子式: C13H10BrN3O4 分子量: 352.14SMILES: OC1=CC(=CC=C1NC(=O)NC2=C(Br)C=CC=C2)[N+]([O-])=O
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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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AZD5069CAS号 : 878385-84-3 Compound CID : 56645576分子式: C18H22F2N4O5S2 分子量: 476.52IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamideSMILES: CC(C(CO)O)OC1=NC(=NC(=C1)NS(=O)(=O)N2CCC2)SCC3=C(C(=CC=C3)F)FInChIKey: QZECRCLSIGFCIO-RISCZKNCSA-NInChI: InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1
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