General Information of the Compound
| Compound ID |
CP0452208
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| Compound Name |
(2S)-2-[[(2R)-oxolan-2-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 |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)[C@H](Cc1ccccc1)NC[C@H]1CCCO1
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| InChI |
InChI=1S/C24H26N4O3/c29-23-22(14-19(15-27-23)18-8-10-25-11-9-18)28-24(30)21(13-17-5-2-1-3-6-17)26-16-20-7-4-12-31-20/h1-3,5-6,8-11,14-15,20-21,26H,4,7,12-13,16H2,(H,27,29)(H,28,30)/t20-,21+/m1/s1
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| InChIKey |
YDALGPHHOMGOGC-RTWAWAEBSA-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