General Information of the Compound
| Compound ID |
CP0374250
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| Compound Name |
5-butyl-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C24H29NO4
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| Molecular Weight |
395.499
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| Canonical SMILES |
CCCCC1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O
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| InChI |
InChI=1S/C24H29NO4/c1-2-3-4-16-6-11-22(21(14-16)24(28)29)25-23(27)12-7-17-5-8-19-15-20(26)10-9-18(19)13-17/h5,8-10,13,15-16,26H,2-4,6-7,11-12,14H2,1H3,(H,25,27)(H,28,29)
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| InChIKey |
OKICQHFHIWZRTA-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