General Information of the Compound
| Compound ID |
CP0549197
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| Compound Name |
US9422293, 61B
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| Structure |
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| Formula |
C26H26F6N6O
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| Molecular Weight |
552.523
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(NC3CCOCC3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H26F6N6O/c27-25(28,29)16-3-5-17(6-4-16)34-22-19-7-12-38(23-20(26(30,31)32)2-1-11-33-23)13-8-21(19)36-24(37-22)35-18-9-14-39-15-10-18/h1-6,11,18H,7-10,12-15H2,(H2,34,35,36,37)
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| InChIKey |
RXLNKZJTFWSCSN-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