General Information of the Compound
| Compound ID |
CP0489524
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| Compound Name |
7-(pyrimidin-2-yl)-N-(4-(trifluoromethyl)phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
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| Structure |
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| Formula |
C19H17F3N6
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| Molecular Weight |
386.381
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2ncnc3CCN(CCc23)c2ncccn2)cc1
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| InChI |
InChI=1S/C19H17F3N6/c20-19(21,22)13-2-4-14(5-3-13)27-17-15-6-10-28(18-23-8-1-9-24-18)11-7-16(15)25-12-26-17/h1-5,8-9,12H,6-7,10-11H2,(H,25,26,27)
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| InChIKey |
KTLSTXOTTQMHEI-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