General Information of the Compound
| Compound ID |
CP0567929
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| Compound Name |
2-[4-[2-(diethylamino)ethoxy]anilino]-8-(2-hydroxyethyl)-6-phenylpyrido[2,3-d]pyrimidin-7-one
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| Formula |
C27H31N5O3
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| Molecular Weight |
473.577
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| Canonical SMILES |
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CCO)c3n2)cc1
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| InChI |
InChI=1S/C27H31N5O3/c1-3-31(4-2)15-17-35-23-12-10-22(11-13-23)29-27-28-19-21-18-24(20-8-6-5-7-9-20)26(34)32(14-16-33)25(21)30-27/h5-13,18-19,33H,3-4,14-17H2,1-2H3,(H,28,29,30)
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| InChIKey |
AOFHPWKDAJCJHE-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