General Information of the Compound
| Compound ID |
CP0949669
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| Compound Name |
Methyl 1-{[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetyl}pyrrolidine-3-carboxylate dihydrochloride
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| Structure |
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| Formula |
C26H37Cl2N3O3
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| Molecular Weight |
510.506
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| Canonical SMILES |
COC(=O)C1CCN(C(=O)Cc2c(C)nc(CC(C)C)c(CN)c2-c2ccc(C)cc2)C1.Cl.Cl
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| InChI |
InChI=1S/C26H35N3O3.2ClH/c1-16(2)12-23-22(14-27)25(19-8-6-17(3)7-9-19)21(18(4)28-23)13-24(30)29-11-10-20(15-29)26(31)32-5;;/h6-9,16,20H,10-15,27H2,1-5H3;2*1H
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| InChIKey |
JYLGCQUEXCPZEA-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