General Information of the Compound
| Compound ID |
CP0037739
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| Compound Name |
4-Anilinopyrido[3,4-d]pyrimidine 8
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| Structure |
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| Formula |
C17H14BrN5O
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| Molecular Weight |
384.237
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| Canonical SMILES |
CC(=C)C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
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| InChI |
InChI=1S/C17H14BrN5O/c1-10(2)17(24)23-15-7-13-14(8-19-15)20-9-21-16(13)22-12-5-3-4-11(18)6-12/h3-9H,1H2,2H3,(H,19,23,24)(H,20,21,22)
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| InChIKey |
UGKRCKRGEISAKC-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