General Information of the Compound
| Compound ID |
CP0418674
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| Compound Name |
(4-chlorophenyl)-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
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| Formula |
C25H26ClN3O2
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| Molecular Weight |
435.955
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
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| InChI |
InChI=1S/C25H26ClN3O2/c26-22-6-2-20(3-7-22)25(30)21-4-8-24(9-5-21)31-19-1-14-28-15-17-29(18-16-28)23-10-12-27-13-11-23/h2-13H,1,14-19H2
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| InChIKey |
PSQXDRFQNCOTQI-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