General Information of the Compound
| Compound ID |
CP0399918
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| Compound Name |
5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide
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| Structure |
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| Formula |
C31H35ClN6O2
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| Molecular Weight |
559.114
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| Canonical SMILES |
Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccc(cc2)C#N)CC1)C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C31H35ClN6O2/c32-29-20-26(31(39)34-12-19-40-28-4-2-1-3-5-28)22-35-30(29)38-17-15-37(16-18-38)27-10-13-36(14-11-27)23-25-8-6-24(21-33)7-9-25/h1-9,20,22,27H,10-19,23H2,(H,34,39)
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| InChIKey |
GKLLWSLEDQZNPB-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