General Information of the Compound
| Compound ID |
CP0407792
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| Compound Name |
(2S)-1-[5-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C25H21F3N4O4
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| Molecular Weight |
498.461
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN1C(=O)c1ccc(cn1)-c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H21F3N4O4/c26-25(27,28)18-4-1-2-5-19(18)31-24(36)30-17-10-7-15(8-11-17)16-9-12-20(29-14-16)22(33)32-13-3-6-21(32)23(34)35/h1-2,4-5,7-12,14,21H,3,6,13H2,(H,34,35)(H2,30,31,36)/t21-/m0/s1
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| InChIKey |
JGBAFYGXJDEMRK-NRFANRHFSA-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