General Information of the Compound
| Compound ID |
CP0575532
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| Compound Name |
6-(4-tert-butylphenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C30H37N5O2
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| Molecular Weight |
499.659
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| Canonical SMILES |
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(cc4)C(C)(C)C)c(=O)n(C)c3n2)cc1
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| InChI |
InChI=1S/C30H37N5O2/c1-7-35(8-2)17-18-37-25-15-13-24(14-16-25)32-29-31-20-22-19-26(28(36)34(6)27(22)33-29)21-9-11-23(12-10-21)30(3,4)5/h9-16,19-20H,7-8,17-18H2,1-6H3,(H,31,32,33)
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| InChIKey |
LXFRLBOLLMEJTK-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