General Information of the Compound
| Compound ID |
CP0382521
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| Compound Name |
2-N-(pyridin-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-2,4-diamine
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| Structure |
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| Formula |
C27H23F6N7
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| Molecular Weight |
559.518
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(NCc3ccccn3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C27H23F6N7/c28-26(29,30)17-6-8-18(9-7-17)37-23-20-10-14-40(24-21(27(31,32)33)5-3-13-35-24)15-11-22(20)38-25(39-23)36-16-19-4-1-2-12-34-19/h1-9,12-13H,10-11,14-16H2,(H2,36,37,38,39)
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| InChIKey |
HULIPYRTZHBHFC-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
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1