General Information of the Compound
| Compound ID |
CP0476873
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| Compound Name |
(2S)-2-[2-(oxan-4-yl)ethylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)[C@H](Cc1ccccc1)NCCC1CCOCC1
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| InChI |
InChI=1S/C26H30N4O3/c31-25-24(17-22(18-29-25)21-7-11-27-12-8-21)30-26(32)23(16-20-4-2-1-3-5-20)28-13-6-19-9-14-33-15-10-19/h1-5,7-8,11-12,17-19,23,28H,6,9-10,13-16H2,(H,29,31)(H,30,32)/t23-/m0/s1
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| InChIKey |
FGYBNLZPMWKPLW-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