General Information of the Compound
| Compound ID |
CP0475274
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| Compound Name |
(2S)-1-[5-[4-[[4-(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)Nc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H21F3N4O4/c26-25(27,28)17-6-10-19(11-7-17)31-24(36)30-18-8-3-15(4-9-18)16-5-12-20(29-14-16)22(33)32-13-1-2-21(32)23(34)35/h3-12,14,21H,1-2,13H2,(H,34,35)(H2,30,31,36)/t21-/m0/s1
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| InChIKey |
XTJUXNXEADBJCX-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