General Information of the Compound
| Compound ID |
CP0166592
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C25H27Cl2N3O
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| Molecular Weight |
456.417
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C25H27Cl2N3O/c26-22-8-5-9-23(24(22)27)30-16-14-29(15-17-30)13-4-3-12-28-25(31)21-11-10-19-6-1-2-7-20(19)18-21/h1-2,5-11,18H,3-4,12-17H2,(H,28,31)
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| InChIKey |
DTWIWINSMXUYHB-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