General Information of the Compound
| Compound ID |
CP0424610
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| Compound Name |
(3E)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-7-methoxychromen-4-one
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| Structure |
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| Formula |
C17H17N3O3
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| Molecular Weight |
311.341
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| Canonical SMILES |
COc1ccc2C(=O)\C(COc2c1)=C\c1cnc(nc1)N(C)C
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| InChI |
InChI=1S/C17H17N3O3/c1-20(2)17-18-8-11(9-19-17)6-12-10-23-15-7-13(22-3)4-5-14(15)16(12)21/h4-9H,10H2,1-3H3/b12-6+
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| InChIKey |
QDKJGFPTZSZHPZ-WUXMJOGZSA-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