General Information of the Compound
| Compound ID |
CP0899529
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| Compound Name |
Methyl 4-({[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetyl}amino)thiophene-3-carboxylate dihydrochloride
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| Structure |
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| Formula |
C26H33Cl2N3O3S
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| Molecular Weight |
538.541
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| Canonical SMILES |
COC(=O)c1cscc1NC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1.Cl.Cl
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| InChI |
InChI=1S/C26H31N3O3S.2ClH/c1-15(2)10-22-20(12-27)25(18-8-6-16(3)7-9-18)19(17(4)28-22)11-24(30)29-23-14-33-13-21(23)26(31)32-5;;/h6-9,13-15H,10-12,27H2,1-5H3,(H,29,30);2*1H
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| InChIKey |
BARHZYPXOUQPBM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound