General Information of the Compound
Compound ID |
CP0570197
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Compound Name |
4-[(E)-2-[(cyclohexylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-(oxan-2-yloxy)benzamide
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Structure |
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Formula |
C32H38N2O4
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Molecular Weight |
514.666
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Canonical SMILES |
O=C(NOC1CCCCO1)c1ccc(\C=C(/CNC2CCCCC2)COc2cccc3ccccc23)cc1
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InChI |
InChI=1S/C32H38N2O4/c35-32(34-38-31-15-6-7-20-36-31)27-18-16-24(17-19-27)21-25(22-33-28-11-2-1-3-12-28)23-37-30-14-8-10-26-9-4-5-13-29(26)30/h4-5,8-10,13-14,16-19,21,28,31,33H,1-3,6-7,11-12,15,20,22-23H2,(H,34,35)/b25-21+
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InChIKey |
YHRRVGZBEGCGDS-NJNXFGOHSA-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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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
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