General Information of the Compound
| Compound ID |
CP0482711
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| Compound Name |
US9186360, 62
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| Structure |
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| Formula |
C25H26F2N4O5S
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| Molecular Weight |
532.569
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| Canonical SMILES |
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(C)(C)C)c(F)c1
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| InChI |
InChI=1S/C25H26F2N4O5S/c1-12-14(19-21(33)30(5)24(34)31(6)22(19)36-12)9-18(32)29-23-28-17(10-37-23)13-7-15(26)20(16(27)8-13)35-11-25(2,3)4/h7-8,10H,9,11H2,1-6H3,(H,28,29,32)
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| InChIKey |
GXZJAPWOZROTCB-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT04494, Transient receptor potential cation channel subfamily V member 3
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4