General Information of the Compound
| Compound ID |
CP0407033
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| Compound Name |
2-(3-(6-hydroxynaphthalen-2-yl)propanamido)-5-methylcyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
CC1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O
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| InChI |
InChI=1S/C21H23NO4/c1-13-2-8-19(18(10-13)21(25)26)22-20(24)9-4-14-3-5-16-12-17(23)7-6-15(16)11-14/h3,5-7,11-13,23H,2,4,8-10H2,1H3,(H,22,24)(H,25,26)
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| InChIKey |
NZBHIMJNVRNYER-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