General Information of the Compound
| Compound ID |
CP0512606
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| Compound Name |
US9422293, 303
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| Structure |
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| Formula |
C23H21ClF3N5O2S
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| Molecular Weight |
523.968
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| Canonical SMILES |
COC(=O)c1cnc(N2CCc3nc(SC)nc(Nc4ccc(cc4)C(F)(F)F)c3CC2)c(Cl)c1
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| InChI |
InChI=1S/C23H21ClF3N5O2S/c1-34-21(33)13-11-17(24)20(28-12-13)32-9-7-16-18(8-10-32)30-22(35-2)31-19(16)29-15-5-3-14(4-6-15)23(25,26)27/h3-6,11-12H,7-10H2,1-2H3,(H,29,30,31)
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| InChIKey |
SNSPFVJWZAGRBI-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