General Information of the Compound
| Compound ID |
CP0416063
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| Compound Name |
2-(pyrrolidin-1-yl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
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| Structure |
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| Formula |
C25H24F6N6
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| Molecular Weight |
522.497
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCC2)cc1
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| InChI |
InChI=1S/C25H24F6N6/c26-24(27,28)16-5-7-17(8-6-16)33-21-18-9-14-36(22-19(25(29,30)31)4-3-11-32-22)15-10-20(18)34-23(35-21)37-12-1-2-13-37/h3-8,11H,1-2,9-10,12-15H2,(H,33,34,35)
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| InChIKey |
RVTWSZCNDNZGLF-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