General Information of the Compound
| Compound ID |
CP0486940
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| Compound Name |
(2S)-2-(1H-imidazol-5-ylmethylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C23H22N6O2
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| Molecular Weight |
414.469
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| Canonical SMILES |
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cnc[nH]1
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| InChI |
InChI=1S/C23H22N6O2/c30-22-21(11-18(12-27-22)17-6-8-24-9-7-17)29-23(31)20(10-16-4-2-1-3-5-16)26-14-19-13-25-15-28-19/h1-9,11-13,15,20,26H,10,14H2,(H,25,28)(H,27,30)(H,29,31)/t20-/m0/s1
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| InChIKey |
YDNREWDUBHJQBI-FQEVSTJZSA-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