General Information of the Compound
| Compound ID |
CP0427574
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| Compound Name |
5-(4-(4-chlorobenzyl)piperazin-1-yl)-1-(4-phenylpiperazin-1-yl)pentan-1-one
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| Structure |
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| Formula |
C26H35ClN4O
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| Molecular Weight |
455.046
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| Canonical SMILES |
Clc1ccc(CN2CCN(CCCCC(=O)N3CCN(CC3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C26H35ClN4O/c27-24-11-9-23(10-12-24)22-29-16-14-28(15-17-29)13-5-4-8-26(32)31-20-18-30(19-21-31)25-6-2-1-3-7-25/h1-3,6-7,9-12H,4-5,8,13-22H2
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| InChIKey |
DSKUTZVHEXQHAT-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