General Information of the Compound
| Compound ID |
CP0406216
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| Compound Name |
4-(4-Methoxybenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
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| Structure |
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| Formula |
C29H34ClN3O2
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| Molecular Weight |
492.063
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| Canonical SMILES |
COc1ccc(CNCCCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C29H34ClN3O2/c1-35-27-15-9-23(10-16-27)22-31-17-5-8-28(34)32-18-20-33(21-19-32)29(24-6-3-2-4-7-24)25-11-13-26(30)14-12-25/h2-4,6-7,9-16,29,31H,5,8,17-22H2,1H3
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| InChIKey |
DIQYKFLHIVXEGF-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