General Information of the Compound
| Compound ID |
CP0533170
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| Compound Name |
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 |
C26H27F6N7
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| Molecular Weight |
551.539
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(NC3CCCNC3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H27F6N7/c27-25(28,29)16-5-7-17(8-6-16)35-22-19-9-13-39(23-20(26(30,31)32)4-2-12-34-23)14-10-21(19)37-24(38-22)36-18-3-1-11-33-15-18/h2,4-8,12,18,33H,1,3,9-11,13-15H2,(H2,35,36,37,38)
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| InChIKey |
VZAFKJMMFIFKPS-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