General Information of the Compound
| Compound ID |
CP0376751
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| Compound Name |
N-[[4-(2-hydroxyethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
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| Structure |
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| Formula |
C31H39N3O3
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| Molecular Weight |
501.671
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| Canonical SMILES |
OCCOc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C31H39N3O3/c35-23-24-37-28-16-14-26(15-17-28)25-32-31(36)13-5-2-8-18-33-19-21-34(22-20-33)30-12-7-6-11-29(30)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17,35H,2,5,8,13,18-25H2,(H,32,36)
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| InChIKey |
FPOSRDYGRUIARA-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