General Information of the Compound
| Compound ID |
CP0494783
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| Compound Name |
5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(3-methoxybenzyl)nicotinamide
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| Structure |
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| Formula |
C30H35Cl2N5O2
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| Molecular Weight |
568.549
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| Canonical SMILES |
COc1cccc(CNC(=O)c2cnc(N3CCN(CC3)C3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)c2)c1
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| InChI |
InChI=1S/C30H35Cl2N5O2/c1-39-27-4-2-3-23(17-27)19-34-30(38)24-18-28(32)29(33-20-24)37-15-13-36(14-16-37)26-9-11-35(12-10-26)21-22-5-7-25(31)8-6-22/h2-8,17-18,20,26H,9-16,19,21H2,1H3,(H,34,38)
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| InChIKey |
JUMRVKLXUFVLMR-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