General Information of the Compound
| Compound ID |
CP0451537
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| Compound Name |
US9422293, 243
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| Structure |
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| Formula |
C25H22F8N6
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| Molecular Weight |
558.477
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCC(F)(F)C2)cc1
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| InChI |
InChI=1S/C25H22F8N6/c26-23(27)9-13-39(14-23)22-36-19-8-12-38(21-18(25(31,32)33)2-1-10-34-21)11-7-17(19)20(37-22)35-16-5-3-15(4-6-16)24(28,29)30/h1-6,10H,7-9,11-14H2,(H,35,36,37)
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| InChIKey |
MBPGQULKKFYHTN-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