General Information of the Compound
| Compound ID |
CP0444910
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| Compound Name |
US9422293, 321
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| Structure |
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| Formula |
C29H33F3N6O
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| Molecular Weight |
538.618
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| Canonical SMILES |
CC(Oc1nc2CCN(CCc2c(Nc2ccc3CCCN(C)c3c2)n1)c1ncccc1C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C29H33F3N6O/c1-18(19-7-8-19)39-28-35-24-12-16-38(27-23(29(30,31)32)6-3-13-33-27)15-11-22(24)26(36-28)34-21-10-9-20-5-4-14-37(2)25(20)17-21/h3,6,9-10,13,17-19H,4-5,7-8,11-12,14-16H2,1-2H3,(H,34,35,36)
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| InChIKey |
SAOXCZNWKZLAGT-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1