General Information of the Compound
| Compound ID |
CP0451536
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| Compound Name |
US9422293, 211
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| Structure |
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| Formula |
C24H21F6N5O4S
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| Molecular Weight |
589.518
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| Canonical SMILES |
COC(=O)c1cnc(N2CCc3nc(nc(Nc4ccc(cc4)C(F)(F)F)c3CC2)S(C)(=O)=O)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H21F6N5O4S/c1-39-21(36)13-11-17(24(28,29)30)20(31-12-13)35-9-7-16-18(8-10-35)33-22(40(2,37)38)34-19(16)32-15-5-3-14(4-6-15)23(25,26)27/h3-6,11-12H,7-10H2,1-2H3,(H,32,33,34)
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| InChIKey |
RVXGIPDXPYQFNP-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