General Information of the Compound
| Compound ID |
CP0121994
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| Compound Name |
3-[[[(1R)-1-(2,4-difluorophenyl)propyl]-(pyrazolo[1,5-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
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| Structure |
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| Formula |
C25H21F2N3O3
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| Molecular Weight |
449.457
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| Canonical SMILES |
CC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccn2n1)c1ccc(F)cc1F
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| InChI |
InChI=1S/C25H21F2N3O3/c1-2-23(20-10-9-18(26)13-21(20)27)29(15-16-6-5-7-17(12-16)25(32)33)24(31)22-14-19-8-3-4-11-30(19)28-22/h3-14,23H,2,15H2,1H3,(H,32,33)/t23-/m1/s1
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| InChIKey |
LWTRPOBSYVDNTC-HSZRJFAPSA-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