General Information of the Compound
| Compound ID |
CP0493392
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| Compound Name |
US9422293, 393
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| Structure |
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| Formula |
C27H28ClF3N6O2
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| Molecular Weight |
561.008
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| Canonical SMILES |
COC(=O)c1cnc(N2CCc3nc(nc(Nc4ccc(cc4)C(F)(F)F)c3CC2)N2CCCCC2)c(Cl)c1
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| InChI |
InChI=1S/C27H28ClF3N6O2/c1-39-25(38)17-15-21(28)24(32-16-17)36-13-9-20-22(10-14-36)34-26(37-11-3-2-4-12-37)35-23(20)33-19-7-5-18(6-8-19)27(29,30)31/h5-8,15-16H,2-4,9-14H2,1H3,(H,33,34,35)
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| InChIKey |
ORTJDXCLGNFPIC-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