General Information of the Compound
| Compound ID |
CP0398604
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| Compound Name |
4-(4-Isopropylbenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
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| Structure |
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| Formula |
C31H38ClN3O
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| Molecular Weight |
504.118
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| Canonical SMILES |
CC(C)c1ccc(CNCCCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C31H38ClN3O/c1-24(2)26-12-10-25(11-13-26)23-33-18-6-9-30(36)34-19-21-35(22-20-34)31(27-7-4-3-5-8-27)28-14-16-29(32)17-15-28/h3-5,7-8,10-17,24,31,33H,6,9,18-23H2,1-2H3
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| InChIKey |
SCFCZEJBFLOUQO-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