General Information of the Compound
| Compound ID |
CP0518259
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| Compound Name |
N-methyl-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 |
C28H29F6N7O
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| Molecular Weight |
593.576
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| Canonical SMILES |
CN(C1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F)C(C)=O
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| InChI |
InChI=1S/C28H29F6N7O/c1-17(42)39(2)20-9-13-41(16-20)26-37-23-11-15-40(25-22(28(32,33)34)4-3-12-35-25)14-10-21(23)24(38-26)36-19-7-5-18(6-8-19)27(29,30)31/h3-8,12,20H,9-11,13-16H2,1-2H3,(H,36,37,38)
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| InChIKey |
AWFVISZDKAPGAO-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