General Information of the Compound
| Compound ID |
CP0417527
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| Compound Name |
5-chloro-6-(4-((2S)-1-(4-chlorobenzyl)-2-methylpiperidin-4-yl)piperazin-1-yl)-N-methylnicotinamide
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| Structure |
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| Formula |
C24H31Cl2N5O
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| Molecular Weight |
476.452
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| Canonical SMILES |
CNC(=O)c1cnc(N2CCN(CC2)C2CCN(Cc3ccc(Cl)cc3)[C@@H](C)C2)c(Cl)c1
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| InChI |
InChI=1S/C24H31Cl2N5O/c1-17-13-21(7-8-31(17)16-18-3-5-20(25)6-4-18)29-9-11-30(12-10-29)23-22(26)14-19(15-28-23)24(32)27-2/h3-6,14-15,17,21H,7-13,16H2,1-2H3,(H,27,32)/t17-,21?/m0/s1
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| InChIKey |
JFLKYMMSUKNRQT-PBVYKCSPSA-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