General Information of the Compound
| Compound ID |
CP0526856
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| Compound Name |
(2S)-2-amino-3-(4-cyanophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
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| Structure |
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| Formula |
C20H17N5O2
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| Molecular Weight |
359.389
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| Canonical SMILES |
N[C@@H](Cc1ccc(cc1)C#N)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
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| InChI |
InChI=1S/C20H17N5O2/c21-11-14-3-1-13(2-4-14)9-17(22)19(26)25-18-10-16(12-24-20(18)27)15-5-7-23-8-6-15/h1-8,10,12,17H,9,22H2,(H,24,27)(H,25,26)/t17-/m0/s1
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| InChIKey |
TUIACQQLTDHMAT-KRWDZBQOSA-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