General Information of the Compound
| Compound ID |
CP0489983
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| Compound Name |
N-[3-(1,3-benzodioxol-5-ylmethylamino)-4-methylphenyl]-3-cyclohexylpropanamide
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| Structure |
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| Formula |
C24H30N2O3
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| Molecular Weight |
394.515
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| Canonical SMILES |
Cc1ccc(NC(=O)CCC2CCCCC2)cc1NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H30N2O3/c1-17-7-10-20(26-24(27)12-9-18-5-3-2-4-6-18)14-21(17)25-15-19-8-11-22-23(13-19)29-16-28-22/h7-8,10-11,13-14,18,25H,2-6,9,12,15-16H2,1H3,(H,26,27)
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| InChIKey |
YJJAKDIICKGMCL-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