General Information of the Compound
| Compound ID |
CP0550738
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| Compound Name |
US9422293, 265
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| Structure |
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| Formula |
C25H24F6N6O
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| Molecular Weight |
538.496
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(N[C@@H]3CCOC3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H24F6N6O/c26-24(27,28)15-3-5-16(6-4-15)33-21-18-7-11-37(22-19(25(29,30)31)2-1-10-32-22)12-8-20(18)35-23(36-21)34-17-9-13-38-14-17/h1-6,10,17H,7-9,11-14H2,(H2,33,34,35,36)/t17-/m1/s1
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| InChIKey |
ROGIRUYAXVLHPQ-QGZVFWFLSA-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