General Information of the Compound
| Compound ID |
CP0528688
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| Compound Name |
2-(4-(4-(trifluoromethyl)phenylamino)-8,9-dihydro-5H-pyrimido[5,4-d]azepin-7(6H)-yl)nicotinamide
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| Structure |
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| Formula |
C21H19F3N6O
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| Molecular Weight |
428.418
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| Canonical SMILES |
NC(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1
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| InChI |
InChI=1S/C21H19F3N6O/c22-21(23,24)13-3-5-14(6-4-13)29-19-15-7-10-30(11-8-17(15)27-12-28-19)20-16(18(25)31)2-1-9-26-20/h1-6,9,12H,7-8,10-11H2,(H2,25,31)(H,27,28,29)
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| InChIKey |
LOAYGWDGCQXPQT-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