General Information of the Compound
| Compound ID |
CP0490486
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| Compound Name |
1-(4-(4-(6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-ylamino)-2-methylphenoxy)piperidin-1-yl)-3,3-dimethylbutan-1-one
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| Structure |
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| Formula |
C27H36N6O2
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| Molecular Weight |
476.625
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| Canonical SMILES |
CN(C)c1cc2c(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)ncnc2cn1
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| InChI |
InChI=1S/C27H36N6O2/c1-18-13-19(31-26-21-14-24(32(5)6)28-16-22(21)29-17-30-26)7-8-23(18)35-20-9-11-33(12-10-20)25(34)15-27(2,3)4/h7-8,13-14,16-17,20H,9-12,15H2,1-6H3,(H,29,30,31)
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| InChIKey |
XFZZOYBVFSUOKN-UHFFFAOYSA-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