General Information of the Compound
| Compound ID |
CP0507628
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| Compound Name |
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
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| Structure |
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| Formula |
C25H34ClN3O
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| Molecular Weight |
428.02
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| Canonical SMILES |
CC(C)CNCCCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H34ClN3O/c1-20(2)19-27-14-6-9-24(30)28-15-17-29(18-16-28)25(21-7-4-3-5-8-21)22-10-12-23(26)13-11-22/h3-5,7-8,10-13,20,25,27H,6,9,14-19H2,1-2H3
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| InChIKey |
KXMFWBOCXIMJKH-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