General Information of the Compound
| Compound ID |
CP0373494
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| Compound Name |
4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-N-(4-chlorophenyl)butanamide
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| Structure |
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| Formula |
C22H26ClN3O3
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| Molecular Weight |
415.921
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| Canonical SMILES |
Clc1ccc(NC(=O)CCCN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
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| InChI |
InChI=1S/C22H26ClN3O3/c23-18-4-6-19(7-5-18)24-22(27)2-1-9-25-10-12-26(13-11-25)15-17-3-8-20-21(14-17)29-16-28-20/h3-8,14H,1-2,9-13,15-16H2,(H,24,27)
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| InChIKey |
WNJGHJSSWCJMGF-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