General Information of the Compound
| Compound ID |
CP0489526
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| Compound Name |
US9422293, 164
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| Structure |
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| Formula |
C31H38F3N7
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| Molecular Weight |
565.688
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| Canonical SMILES |
CN1CCC(C)(C)c2ccc(Nc3nc(nc4CCN(CCc34)c3ncccc3C(F)(F)F)N3CCCCC3)cc12
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| InChI |
InChI=1S/C31H38F3N7/c1-30(2)13-19-39(3)26-20-21(9-10-23(26)30)36-27-22-11-17-40(28-24(31(32,33)34)8-7-14-35-28)18-12-25(22)37-29(38-27)41-15-5-4-6-16-41/h7-10,14,20H,4-6,11-13,15-19H2,1-3H3,(H,36,37,38)
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| InChIKey |
LMPHSOGPKNZCDE-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