General Information of the Compound
| Compound ID |
CP0388671
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| Compound Name |
5-(6-fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C25H23FN2O4
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| Molecular Weight |
434.467
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| Canonical SMILES |
OC(=O)C1=C(CCC(C1)c1ccc(F)nc1)NC(=O)CCc1ccc2cc(O)ccc2c1
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| InChI |
InChI=1S/C25H23FN2O4/c26-23-9-6-19(14-27-23)18-5-8-22(21(13-18)25(31)32)28-24(30)10-2-15-1-3-17-12-20(29)7-4-16(17)11-15/h1,3-4,6-7,9,11-12,14,18,29H,2,5,8,10,13H2,(H,28,30)(H,31,32)
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| InChIKey |
HASLRSOJAVCZLP-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