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花青素CAS号 : 13306-05-3 Compound CID : 128861分子式: C15H11O6+ 分子量: 287.24IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triolSMILES: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)OInChIKey: VEVZSMAEJFVWIL-UHFFFAOYSA-OInChI: InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
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阿加曲班（MCI-9038）CAS号 : 74863-84-6(DMSO)分子式: C23H36N6O5S 分子量: 508.63SMILES: CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)N[S](=O)(=O)C2=CC=CC3=C2NCC(C)C3
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WAY-358871CAS号 : 328108-09-4 Compound CID : 2317506分子式: C11H9FN4O3 分子量: 264.21IUPAC Name: methyl 3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylateSMILES: COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)FInChIKey: CYAQTWKBNHAHHY-UHFFFAOYSA-NInChI: InChI=1S/C11H9FN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16,17)
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贝曲西班CAS号 : 330942-05-7 Compound CID : 10275777分子式: C23H22ClN5O3 分子量: 451.91IUPAC Name: N-(5-chloropyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamideSMILES: CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)ClInChIKey: XHOLNRLADUSQLD-UHFFFAOYSA-NInChI: InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
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WAY-358871CAS号 : 328108-09-4 Compound CID : 2317506分子式: C11H9FN4O3 分子量: 264.21IUPAC Name: methyl 3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylateSMILES: COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)FInChIKey: CYAQTWKBNHAHHY-UHFFFAOYSA-NInChI: InChI=1S/C11H9FN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16,17)
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β-谷甾醇分子式: C29H50O 分子量: 414.71IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)CInChIKey: KZJWDPNRJALLNS-VJSFXXLFSA-NInChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamideCAS号 : 478644-12-1 Compound CID : 9911502分子式: C17H22ClN3O5S2 分子量: 448IUPAC Name: (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamideSMILES: CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)C=CC3=CC=C(S3)ClInChIKey: ACEFOQMQINFMRW-DYCFVMESSA-NInChI: InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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(4-Methyl-2-oxochromen-7-yl) furan-2-carboxylateCAS号 : 87468-02-8 Compound CID : 728528分子式: C15H10O5 分子量: 270.24IUPAC Name: (4-methyl-2-oxochromen-7-yl) furan-2-carboxylateSMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3InChIKey: WVAYNWNBGPUATF-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3
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N-[amino(imino)methyl]-4-bromobenzenesulfonamideCAS号 : 36397-58-7 Compound CID : 4424591分子式: C7H8BrN3O2S 分子量: 278.13IUPAC Name: 2-(4-bromophenyl)sulfonylguanidineSMILES: C1=CC(=CC=C1S(=O)(=O)N=C(N)N)BrInChIKey: DSRKIDJIFPYXRE-UHFFFAOYSA-NInChI: InChI=1S/C7H8BrN3O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,(H4,9,10,11)
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N-[amino(imino)methyl]-4-methylbenzenesulfonamide分子式: C8H11N3O2S 分子量: 213.26IUPAC Name: 2-(4-methylphenyl)sulfonylguanidineSMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C(N)NInChIKey: YMXFYAAVYBVOKE-UHFFFAOYSA-NInChI: InChI=1S/C8H11N3O2S/c1-6-2-4-7(5-3-6)14(12,13)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
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![2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/placeholder/default/small.jpg)