General Information of the Compound
| Compound ID |
CP0406833
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| Compound Name |
US9422293, 215
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| Structure |
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| Formula |
C27H28F6N6O
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| Molecular Weight |
566.55
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| Canonical SMILES |
COC[C@@H]1CCCN1c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H28F6N6O/c1-40-16-19-4-3-13-39(19)25-36-22-11-15-38(24-21(27(31,32)33)5-2-12-34-24)14-10-20(22)23(37-25)35-18-8-6-17(7-9-18)26(28,29)30/h2,5-9,12,19H,3-4,10-11,13-16H2,1H3,(H,35,36,37)/t19-/m0/s1
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| InChIKey |
GNMAZHJFXALBHQ-IBGZPJMESA-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1