General Information of the Compound
| Compound ID |
CP0504354
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| Compound Name |
2-(3-(6-hydroxynaphthalen-2-yl)propanamido)-5-(6-(trifluoromethyl)pyridin-3-yl)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C26H23F3N2O4
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| Molecular Weight |
484.474
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| Canonical SMILES |
OC(=O)C1=C(CCC(C1)c1ccc(nc1)C(F)(F)F)NC(=O)CCc1ccc2cc(O)ccc2c1
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| InChI |
InChI=1S/C26H23F3N2O4/c27-26(28,29)23-9-6-19(14-30-23)18-5-8-22(21(13-18)25(34)35)31-24(33)10-2-15-1-3-17-12-20(32)7-4-16(17)11-15/h1,3-4,6-7,9,11-12,14,18,32H,2,5,8,10,13H2,(H,31,33)(H,34,35)
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| InChIKey |
RRXLYHOECPJXGO-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