General Information of the Compound
| Compound ID |
CP0106327
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C16H11ClFN5O
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| Molecular Weight |
343.749
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| Canonical SMILES |
Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)cc1Cl
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| InChI |
InChI=1S/C16H11ClFN5O/c1-2-14(24)22-13-6-5-12-15(23-13)16(20-8-19-12)21-9-3-4-11(18)10(17)7-9/h2-8H,1H2,(H,19,20,21)(H,22,23,24)
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| InChIKey |
KXLRVRIKQJRVCZ-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