General Information of the Compound
| Compound ID |
CP0095040
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| Compound Name |
3-[[[(1R)-1-(4-fluorophenyl)propyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
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| Structure |
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| Formula |
C27H23FN2O3
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| Molecular Weight |
442.49
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| Canonical SMILES |
CC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H23FN2O3/c1-2-25(19-10-12-23(28)13-11-19)30(17-18-6-5-8-21(14-18)27(32)33)26(31)22-15-20-7-3-4-9-24(20)29-16-22/h3-16,25H,2,17H2,1H3,(H,32,33)/t25-/m1/s1
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| InChIKey |
WCYFCFXBUDZUAO-RUZDIDTESA-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