General Information of the Compound
| Compound ID |
CP0230639
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| Compound Name |
(4-anilinopiperidin-1-yl)-[2-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methanone
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| Structure |
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| Formula |
C31H38N4O
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| Molecular Weight |
482.672
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(CC2)Nc2ccccc2)C[C@@H](C)N1
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| InChI |
InChI=1S/C31H38N4O/c1-23-20-34(21-24(2)32-23)22-25-12-14-26(15-13-25)29-10-6-7-11-30(29)31(36)35-18-16-28(17-19-35)33-27-8-4-3-5-9-27/h3-15,23-24,28,32-33H,16-22H2,1-2H3/t23-,24+
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| InChIKey |
ZQBXYQUUWVYTEK-PSWAGMNNSA-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