General Information of the Compound
| Compound ID |
CP0112580
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| Compound Name |
N-[4-(3-methylanilino)pyrido[3,4-d]pyrimidin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C17H15N5O
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| Molecular Weight |
305.341
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| Canonical SMILES |
Cc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1
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| InChI |
InChI=1S/C17H15N5O/c1-3-16(23)22-15-8-13-14(9-18-15)19-10-20-17(13)21-12-6-4-5-11(2)7-12/h3-10H,1H2,2H3,(H,18,22,23)(H,19,20,21)
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| InChIKey |
ZQAIYVKPDMZOOX-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