General Information of the Compound
| Compound ID |
CP0416065
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| Compound Name |
2-isopropyl-N-(5-(trifluoromethyl)pyrazin-2-yl)-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 |
C22H21F6N7
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| Molecular Weight |
497.447
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2cnc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C22H21F6N7/c1-12(2)18-32-15-6-9-35(20-14(21(23,24)25)4-3-7-29-20)8-5-13(15)19(34-18)33-17-11-30-16(10-31-17)22(26,27)28/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,31,32,33,34)
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| InChIKey |
AOWCIDPCBDSTGB-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