General Information of the Compound
| Compound ID |
CP0465881
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| Compound Name |
N-[1-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl]pyrrolidin-3-yl]acetamide
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| Structure |
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| Formula |
C27H27F6N7O
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| Molecular Weight |
579.549
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| Canonical SMILES |
CC(=O)NC1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H27F6N7O/c1-16(41)35-19-8-12-40(15-19)25-37-22-10-14-39(24-21(27(31,32)33)3-2-11-34-24)13-9-20(22)23(38-25)36-18-6-4-17(5-7-18)26(28,29)30/h2-7,11,19H,8-10,12-15H2,1H3,(H,35,41)(H,36,37,38)
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| InChIKey |
IIVNLXXBFIWTOK-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