General Information of the Compound
| Compound ID |
CP0413386
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| Compound Name |
5-[[[(1R)-1-(4-fluorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]-2-methylbenzoic 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 |
C[C@@H](N(Cc1ccc(C)c(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H23FN2O3/c1-17-7-8-19(13-24(17)27(32)33)16-30(18(2)20-9-11-23(28)12-10-20)26(31)22-14-21-5-3-4-6-25(21)29-15-22/h3-15,18H,16H2,1-2H3,(H,32,33)/t18-/m1/s1
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| InChIKey |
FVGLARMNCJWTAW-GOSISDBHSA-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