General Information of the Compound
| Compound ID |
CP0123021
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| Compound Name |
6-[[[(1R)-1-(2,4-difluorophenyl)ethyl]-(isoquinoline-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
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| Structure |
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| Formula |
C25H19F2N3O3
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| Molecular Weight |
447.441
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| Canonical SMILES |
C[C@@H](N(Cc1cccc(n1)C(O)=O)C(=O)c1cc2ccccc2cn1)c1ccc(F)cc1F
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| InChI |
InChI=1S/C25H19F2N3O3/c1-15(20-10-9-18(26)12-21(20)27)30(14-19-7-4-8-22(29-19)25(32)33)24(31)23-11-16-5-2-3-6-17(16)13-28-23/h2-13,15H,14H2,1H3,(H,32,33)/t15-/m1/s1
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| InChIKey |
AMONJXGXLUSOET-OAHLLOKOSA-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