General Information of the Compound
| Compound ID |
CP0529937
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| Compound Name |
5-chloro-6-(4-(3-((4-chlorophenyl)(methyl)amino)propyl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide
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| Structure |
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| Formula |
C28H33Cl2N5O2
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| Molecular Weight |
542.511
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| Canonical SMILES |
CN(CCCN1CCN(CC1)c1ncc(cc1Cl)C(=O)NCCOc1ccccc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H33Cl2N5O2/c1-33(24-10-8-23(29)9-11-24)13-5-14-34-15-17-35(18-16-34)27-26(30)20-22(21-32-27)28(36)31-12-19-37-25-6-3-2-4-7-25/h2-4,6-11,20-21H,5,12-19H2,1H3,(H,31,36)
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| InChIKey |
BSMNBHPERYKHAU-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