General Information of the Compound
| Compound ID |
CP0495320
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| Compound Name |
2-(2-(piperidin-1-yl)-4-(4-(trifluoromethyl)phenylamino)-8,9-dihydro-5H-pyrimido[5,4-d]azepin-7(6H)-yl)pyridine-3-sulfonamide
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| Structure |
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| Formula |
C25H28F3N7O2S
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| Molecular Weight |
547.607
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| Canonical SMILES |
NS(=O)(=O)c1cccnc1N1CCc2nc(nc(Nc3ccc(cc3)C(F)(F)F)c2CC1)N1CCCCC1
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| InChI |
InChI=1S/C25H28F3N7O2S/c26-25(27,28)17-6-8-18(9-7-17)31-22-19-10-15-34(23-21(38(29,36)37)5-4-12-30-23)16-11-20(19)32-24(33-22)35-13-2-1-3-14-35/h4-9,12H,1-3,10-11,13-16H2,(H2,29,36,37)(H,31,32,33)
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| InChIKey |
DLYRQZSRSNAJED-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