General Information of the Compound
| Compound ID |
CP0374155
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| Compound Name |
5-(3,5-difluorophenyl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C26H23F2NO4
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| Molecular Weight |
451.469
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| Canonical SMILES |
OC(=O)C1=C(CCC(C1)c1cc(F)cc(F)c1)NC(=O)CCc1ccc2cc(O)ccc2c1
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| InChI |
InChI=1S/C26H23F2NO4/c27-20-10-19(11-21(28)14-20)18-5-7-24(23(13-18)26(32)33)29-25(31)8-2-15-1-3-17-12-22(30)6-4-16(17)9-15/h1,3-4,6,9-12,14,18,30H,2,5,7-8,13H2,(H,29,31)(H,32,33)
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| InChIKey |
JLQLVIVXNACQCA-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