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苯乙双胍盐酸盐分子式: C10H15N5 · HCl 分子量: 241.72IUPAC Name: 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochlorideSMILES: C1=CC=C(C=C1)CCN=C(N)N=C(N)N.ClInChIKey: YSUCWSWKRIOILX-UHFFFAOYSA-NInChI: 1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H
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邻苯二甲酸二正戊酯分子式: C18H26O4 分子量: 306.4IUPAC Name: dipentyl benzene-1,2-dicarboxylateSMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCInChIKey: IPKKHRVROFYTEK-UHFFFAOYSA-NInChI: 1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
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苦龙胆酯苷CAS号: 21018-84-8分子式: C29H30O13 分子量: 586.54IUPAC Name: [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoateSMILES: C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)OInChIKey: DBOVHQOUSDWAPQ-WTONXPSSSA-NInChI: See more
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10Z-Hymenialdisine,泛激酶抑制剂CAS号: 82005-12-7分子式: C11H10BrN5O2 分子量: 324.13IUPAC Name: (4Z)-4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-oneSMILES: C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=C(N2)BrInChIKey: ATBAETXFFCOZOY-DAXSKMNVSA-NInChI: 1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
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咖啡豆醇CAS号: 6894-43-5分子式: C20H26O3 分子量: 314.42IUPAC Name: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-olSMILES: CC12C=CC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3InChIKey: JEKMKNDURXDJAD-HWUKTEKMSA-NInChI: 1S/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
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盐酸阿霉素CAS号: 25316-40-9 EC号: 246-818-3分子式: C27H29NO11·HCl 分子量: 579.98IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochlorideSMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.ClInChIKey: MWWSFMDVAYGXBV-RUELKSSGSA-NInChI: See more
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GSK621CAS号: 1346607-05-3分子式: C26H20ClN3O5 分子量: 489.91IUPAC Name: 6-chloro-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-(3-methoxyphenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dioneSMILES: COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(N3C4=CC=C(C=C4)C5=C(C(=CC=C5)OC)O)Cl)NC2=OInChIKey: KURYSXLJGKKDHT-UHFFFAOYSA-NInChI: 1S/C26H20ClN3O5/c1-34-18-6-3-5-17(13-18)30-25(32)23-20(28-26(30)33)14-22(27)29(23)16-11-9-15(10-12-16)19-7-4-8-21(35-2)24(19)31/h3-14,31H,1-2H3,(H,28,33)
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MK-3903CAS号: 1219737-12-8分子式: C27H19ClN2O3 分子量: 454.9IUPAC Name: 5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acidSMILES: CC1=C(C=C(C=C1)OC2=NC3=C(N2)C=C(C(=C3)C4=CC=C(C=C4)C5=CC=CC=C5)Cl)C(=O)OInChIKey: FIKQZQDYGXAUHC-UHFFFAOYSA-NInChI: 1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32)
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Galegine hydrochlorideCAS号: 2368870-39-5 Compound CID : 139034173分子式: C6H14ClN3 分子量: 163.65IUPAC Name: 2-(3-methylbut-2-enyl)guanidine;hydrochlorideSMILES: CC(=CCN=C(N)N)C.ClInChIKey: QORPDBRMGGUYRL-UHFFFAOYSA-NInChI: 1S/C6H13N3.ClH/c1-5(2)3-4-9-6(7)8;/h3H,4H2,1-2H3,(H4,7,8,9);1H
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百克敏CAS号: 175013-18-0 Compound CID : 6422843分子式: C19H18ClN3O4 分子量: 387.82IUPAC Name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamateSMILES: COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OCInChIKey: HZRSNVGNWUDEFX-UHFFFAOYSA-NInChI: 1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
