General Information of the Compound
| Compound ID |
CP0452214
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| Compound Name |
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(2-pyridin-2-ylpropan-2-ylamino)propanamide
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| Structure |
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| Formula |
C27H27N5O2
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| Molecular Weight |
453.546
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| Canonical SMILES |
CC(C)(N[C@@H](Cc1ccccc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccccn1
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| InChI |
InChI=1S/C27H27N5O2/c1-27(2,24-10-6-7-13-29-24)32-23(16-19-8-4-3-5-9-19)26(34)31-22-17-21(18-30-25(22)33)20-11-14-28-15-12-20/h3-15,17-18,23,32H,16H2,1-2H3,(H,30,33)(H,31,34)/t23-/m0/s1
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| InChIKey |
IHSHPPXPMICYCP-QHCPKHFHSA-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