General Information of the Compound
| Compound ID |
CP0472371
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| Compound Name |
2-N-methyl-2-N-piperidin-3-yl-4-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-2,4-diamine
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| Structure |
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| Formula |
C27H29F6N7
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| Molecular Weight |
565.566
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| Canonical SMILES |
CN(C1CCCNC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H29F6N7/c1-39(19-4-2-12-34-16-19)25-37-22-11-15-40(24-21(27(31,32)33)5-3-13-35-24)14-10-20(22)23(38-25)36-18-8-6-17(7-9-18)26(28,29)30/h3,5-9,13,19,34H,2,4,10-12,14-16H2,1H3,(H,36,37,38)
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| InChIKey |
UNQRZPZKFDHQJJ-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1