General Information of the Compound
| Compound ID |
CP0373245
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| Compound Name |
5-chloro-N-(2-phenoxyethyl)-6-(4-(1-(4-(trifluoromethyl)benzyl)piperidin-4-yl)piperazin-1-yl)nicotinamide
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| Structure |
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| Formula |
C31H35ClF3N5O2
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| Molecular Weight |
602.101
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| Canonical SMILES |
FC(F)(F)c1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCCOc2ccccc2)cc1
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| InChI |
InChI=1S/C31H35ClF3N5O2/c32-28-20-24(30(41)36-12-19-42-27-4-2-1-3-5-27)21-37-29(28)40-17-15-39(16-18-40)26-10-13-38(14-11-26)22-23-6-8-25(9-7-23)31(33,34)35/h1-9,20-21,26H,10-19,22H2,(H,36,41)
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| InChIKey |
JJRADQKVVICSCX-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