General Information of the Compound
| Compound ID |
CP0512597
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| Compound Name |
US9422293, 166
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| Structure |
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| Formula |
C26H25F7N6
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| Molecular Weight |
554.514
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| Canonical SMILES |
Fc1cc(ccc1Nc1nc(nc2CCN(CCc12)c1ncccc1C(F)(F)F)N1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C26H25F7N6/c27-19-15-16(25(28,29)30)6-7-21(19)35-22-17-8-13-38(23-18(26(31,32)33)5-4-10-34-23)14-9-20(17)36-24(37-22)39-11-2-1-3-12-39/h4-7,10,15H,1-3,8-9,11-14H2,(H,35,36,37)
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| InChIKey |
PYBVWNBMFHNRPG-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