General Information of the Compound
| Compound ID |
CP0480857
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| Compound Name |
US9422293, 287
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| Structure |
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| Formula |
C24H22ClF6N5
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| Molecular Weight |
529.916
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C24H22ClF6N5/c1-13(2)20-34-19-8-10-36(22-18(25)11-15(12-32-22)24(29,30)31)9-7-17(19)21(35-20)33-16-5-3-14(4-6-16)23(26,27)28/h3-6,11-13H,7-10H2,1-2H3,(H,33,34,35)
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| InChIKey |
WTTUTVHQERNVQN-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1