General Information of the Compound
| Compound ID |
CP0500910
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| Compound Name |
4-N-{[2-(trifluoromethyl)phenyl]methyl}pyrido[4,3-d]pyrimidine-4,7-diamine
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| Structure |
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| Formula |
C15H12F3N5
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| Molecular Weight |
319.29
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| Canonical SMILES |
Nc1cc2ncnc(NCc3ccccc3C(F)(F)F)c2cn1
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| InChI |
InChI=1S/C15H12F3N5/c16-15(17,18)11-4-2-1-3-9(11)6-21-14-10-7-20-13(19)5-12(10)22-8-23-14/h1-5,7-8H,6H2,(H2,19,20)(H,21,22,23)
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| InChIKey |
SQDKQQSPVKUQCA-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