General Information of the Compound
| Compound ID |
CP0478050
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| Compound Name |
US9422293, 77B
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| Structure |
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| Formula |
C24H25F3N6O2
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| Molecular Weight |
486.498
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| Canonical SMILES |
COC(=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N(C)C)cc1
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| InChI |
InChI=1S/C24H25F3N6O2/c1-32(2)23-30-19-11-14-33(21-18(24(25,26)27)5-4-12-28-21)13-10-17(19)20(31-23)29-16-8-6-15(7-9-16)22(34)35-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,29,30,31)
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| InChIKey |
LXANOUTXZXXGRH-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