General Information of the Compound
| Compound ID |
CP0475723
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| Compound Name |
2-(4-(2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)phenyl)-2-methylpropanoic acid
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| Structure |
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| Formula |
C27H30F3N5O2
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| Molecular Weight |
513.564
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C(O)=O)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H30F3N5O2/c1-16(2)22-33-21-12-15-35(24-20(27(28,29)30)6-5-13-31-24)14-11-19(21)23(34-22)32-18-9-7-17(8-10-18)26(3,4)25(36)37/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,36,37)(H,32,33,34)
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| InChIKey |
WAEKLKAUACGKCX-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