General Information of the Compound
| Compound ID |
CP0496944
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| Compound Name |
5-chloro-6-(4-(1-(4-(dimethylamino)benzyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide
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| Structure |
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| Formula |
C32H41ClN6O2
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| Molecular Weight |
577.173
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| Canonical SMILES |
CN(C)c1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCCOc2ccccc2)cc1
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| InChI |
InChI=1S/C32H41ClN6O2/c1-36(2)27-10-8-25(9-11-27)24-37-15-12-28(13-16-37)38-17-19-39(20-18-38)31-30(33)22-26(23-35-31)32(40)34-14-21-41-29-6-4-3-5-7-29/h3-11,22-23,28H,12-21,24H2,1-2H3,(H,34,40)
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| InChIKey |
ZQKRFHJGFSKBGW-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