General Information of the Compound
| Compound ID |
CP0507285
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| Compound Name |
US9422293, 381
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| Structure |
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| Formula |
C25H23ClF6N6O
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| Molecular Weight |
572.941
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1Cl
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| InChI |
InChI=1S/C25H23ClF6N6O/c26-19-14-15(3-4-17(19)24(27,28)29)34-21-16-5-8-37(22-18(25(30,31)32)2-1-7-33-22)9-6-20(16)35-23(36-21)38-10-12-39-13-11-38/h1-4,7,14H,5-6,8-13H2,(H,34,35,36)
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| InChIKey |
GVHCGXHYJQVGGN-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