General Information of the Compound
| Compound ID |
CP0041544
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| Compound Name |
4-Anilinopyrido[3,4-d]pyrimidine 3
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| Structure |
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| Formula |
C16H12BrN5O
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| Molecular Weight |
370.21
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1
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| InChI |
InChI=1S/C16H12BrN5O/c1-2-15(23)22-14-7-12-13(8-18-14)19-9-20-16(12)21-11-5-3-4-10(17)6-11/h2-9H,1H2,(H,18,22,23)(H,19,20,21)
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| InChIKey |
OLYVUTGQXNIQQG-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