General Information of the Compound
| Compound ID |
CP0413479
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| Compound Name |
US9422293, 273
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| Structure |
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| Formula |
C27H28F6N6O2
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| Molecular Weight |
582.549
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| Canonical SMILES |
Cc1cc(ccc1Nc1nc(nc2CCN(CCc12)c1ncccc1C(F)(F)F)N1CCOC(CO)C1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F6N6O2/c1-16-13-17(26(28,29)30)4-5-21(16)35-23-19-6-9-38(24-20(27(31,32)33)3-2-8-34-24)10-7-22(19)36-25(37-23)39-11-12-41-18(14-39)15-40/h2-5,8,13,18,40H,6-7,9-12,14-15H2,1H3,(H,35,36,37)
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| InChIKey |
ZFHPXSRPNQRBCM-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