General Information of the Compound
| Compound ID |
CP0475724
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| Compound Name |
5-chloro-6-(2-isopropyl-4-(4-(trifluoromethyl)phenylamino)-8,9-dihydro-5H-pyrimido[5,4-d]azepin-7(6H)-yl)nicotinic acid
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| Structure |
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| Formula |
C24H23ClF3N5O2
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| Molecular Weight |
505.928
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncc(cc1Cl)C(O)=O
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| InChI |
InChI=1S/C24H23ClF3N5O2/c1-13(2)20-31-19-8-10-33(22-18(25)11-14(12-29-22)23(34)35)9-7-17(19)21(32-20)30-16-5-3-15(4-6-16)24(26,27)28/h3-6,11-13H,7-10H2,1-2H3,(H,34,35)(H,30,31,32)
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| InChIKey |
XUFDWFZCRYPISY-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