General Information of the Compound
| Compound ID |
CP0100411
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| Compound Name |
(2E)-N-[4-(3-Bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-2,4-pentadienamide
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| Structure |
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| Formula |
C18H14BrN5O
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| Molecular Weight |
396.248
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cnc(NC(=O)\C=C\C=C)cc23)c1
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| InChI |
InChI=1S/C18H14BrN5O/c1-2-3-7-17(25)24-16-9-14-15(10-20-16)21-11-22-18(14)23-13-6-4-5-12(19)8-13/h2-11H,1H2,(H,20,24,25)(H,21,22,23)/b7-3+
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| InChIKey |
UHUXAMBAPFKPGQ-XVNBXDOJSA-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