General Information of the Compound
| Compound ID |
CP0413886
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| Compound Name |
(2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C24H24N6O2
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| Molecular Weight |
428.496
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| Canonical SMILES |
Cn1ccc(CN[C@@H](Cc2ccccc2)C(=O)Nc2cc(c[nH]c2=O)-c2ccncc2)n1
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| InChI |
InChI=1S/C24H24N6O2/c1-30-12-9-20(29-30)16-26-21(13-17-5-3-2-4-6-17)24(32)28-22-14-19(15-27-23(22)31)18-7-10-25-11-8-18/h2-12,14-15,21,26H,13,16H2,1H3,(H,27,31)(H,28,32)/t21-/m0/s1
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| InChIKey |
DFRFWWCRZDSUDF-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