General Information of the Compound
| Compound ID |
CP0501436
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| Compound Name |
US9422293, 229
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| Structure |
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| Formula |
C25H25ClF6N6O
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| Molecular Weight |
574.957
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| Canonical SMILES |
COCCN(C)c1nc2CCN(CCc2c(Nc2ccc(c(Cl)c2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H25ClF6N6O/c1-37(12-13-39-2)23-35-20-8-11-38(22-18(25(30,31)32)4-3-9-33-22)10-7-16(20)21(36-23)34-15-5-6-17(19(26)14-15)24(27,28)29/h3-6,9,14H,7-8,10-13H2,1-2H3,(H,34,35,36)
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| InChIKey |
OQFURZRYIRKZEJ-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