General Information of the Compound
| Compound ID |
CP0529917
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| Compound Name |
5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)piperazin-1-yl)-N-phenethylnicotinamide
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| Structure |
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| Formula |
C30H35Cl2N5O
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| Molecular Weight |
552.55
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| Canonical SMILES |
Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCCc2ccccc2)cc1
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| InChI |
InChI=1S/C30H35Cl2N5O/c31-26-8-6-24(7-9-26)22-35-14-11-27(12-15-35)36-16-18-37(19-17-36)29-28(32)20-25(21-34-29)30(38)33-13-10-23-4-2-1-3-5-23/h1-9,20-21,27H,10-19,22H2,(H,33,38)
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| InChIKey |
RGIULWBHYMMYLJ-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