General Information of the Compound
| Compound ID |
CP0528438
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| Compound Name |
N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]pyridin-3-yl]-2-cyanoacetamide
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| Structure |
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| Formula |
C23H17ClFN5O
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| Molecular Weight |
433.874
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| Canonical SMILES |
C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1C#N
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| InChI |
InChI=1S/C23H17ClFN5O/c1-14(29-23-22(19(24)10-12-28-23)30-21(31)9-11-26)15-5-7-16(8-6-15)17-3-2-4-20(25)18(17)13-27/h2-8,10,12,14H,9H2,1H3,(H,28,29)(H,30,31)/t14-/m1/s1
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| InChIKey |
ZKNSQMRSBCQXFM-CQSZACIVSA-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