General Information of the Compound
| Compound ID |
CP0505299
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| Compound Name |
(E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-(4-methoxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C25H28N2O2
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| Molecular Weight |
388.511
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)NC(CCN(C)C)c2ccc3ccccc3c2)cc1
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| InChI |
InChI=1S/C25H28N2O2/c1-27(2)17-16-24(22-12-11-20-6-4-5-7-21(20)18-22)26-25(28)15-10-19-8-13-23(29-3)14-9-19/h4-15,18,24H,16-17H2,1-3H3,(H,26,28)/b15-10+
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| InChIKey |
MGUGUFMRWFUTDZ-XNTDXEJSSA-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