General Information of the Compound
| Compound ID |
CP0413276
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| Compound Name |
US9422293, 168
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| Structure |
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| Formula |
C29H29F3N6
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| Molecular Weight |
518.587
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)-c2ccncc2)cc1
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| InChI |
InChI=1S/C29H29F3N6/c1-28(2,3)20-6-8-21(9-7-20)35-26-22-12-17-38(27-23(29(30,31)32)5-4-14-34-27)18-13-24(22)36-25(37-26)19-10-15-33-16-11-19/h4-11,14-16H,12-13,17-18H2,1-3H3,(H,35,36,37)
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| InChIKey |
AMEOEEKSHBWAQN-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