General Information of the Compound
| Compound ID |
CP0920227
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| Compound Name |
4-({[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetyl}amino)thiophene-3-carboxylic acid dihydrochloride
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| Structure |
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| Formula |
C25H31Cl2N3O3S
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| Molecular Weight |
524.514
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| Canonical SMILES |
Cc1ccc(-c2c(CC(=O)Nc3cscc3C(=O)O)c(C)nc(CC(C)C)c2CN)cc1.Cl.Cl
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| InChI |
InChI=1S/C25H29N3O3S.2ClH/c1-14(2)9-21-19(11-26)24(17-7-5-15(3)6-8-17)18(16(4)27-21)10-23(29)28-22-13-32-12-20(22)25(30)31;;/h5-8,12-14H,9-11,26H2,1-4H3,(H,28,29)(H,30,31);2*1H
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| InChIKey |
RIZZKHQMZTZSMA-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