General Information of the Compound
| Compound ID |
CP0385423
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| Compound Name |
6-[[[(1R)-1-(4-fluorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
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| Structure |
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| Formula |
C25H20FN3O3
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| Molecular Weight |
429.451
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| Canonical SMILES |
C[C@@H](N(Cc1cccc(n1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H20FN3O3/c1-16(17-9-11-20(26)12-10-17)29(15-21-6-4-8-23(28-21)25(31)32)24(30)19-13-18-5-2-3-7-22(18)27-14-19/h2-14,16H,15H2,1H3,(H,31,32)/t16-/m1/s1
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| InChIKey |
UABGPFCQIKMLRK-MRXNPFEDSA-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