General Information of the Compound
| Compound ID |
CP0828631
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| Compound Name |
(R)-5-(1-(4-(6-(Pyridin-4-yl)quinazolin-2-ylamino)phenyl)-ethylamino)-1,2-dihydropyridin-3(6H)-one
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| Structure |
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| Formula |
C26H24N6O
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| Molecular Weight |
436.519
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| Canonical SMILES |
C[C@@H](NC1=CC(=O)CNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
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| InChI |
InChI=1S/C26H24N6O/c1-17(30-23-13-24(33)16-28-15-23)18-2-5-22(6-3-18)31-26-29-14-21-12-20(4-7-25(21)32-26)19-8-10-27-11-9-19/h2-14,17,28,30H,15-16H2,1H3,(H,29,31,32)/t17-/m1/s1
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| InChIKey |
MMOHLOVDPKIQDH-QGZVFWFLSA-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