General Information of the Compound
| Compound ID |
CP0798077
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| Compound Name |
N-[4-(3-Bromo-phenylamino)-pyrido[3,4-d]pyrimidin-6-yl]-3-chloro-acrylamide
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| Structure |
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| Formula |
C16H11BrClN5O
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| Molecular Weight |
404.655
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| Canonical SMILES |
O=C(/C=C/Cl)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
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| InChI |
InChI=1S/C16H11BrClN5O/c17-10-2-1-3-11(6-10)22-16-12-7-14(23-15(24)4-5-18)19-8-13(12)20-9-21-16/h1-9H,(H,19,23,24)(H,20,21,22)/b5-4+
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| InChIKey |
MNRDWWUGMJRIIM-SNAWJCMRSA-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