General Information of the Compound
| Compound ID |
CP0463398
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| Compound Name |
US9186360, 12
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| Structure |
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| Formula |
C25H26N4O3S
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| Molecular Weight |
462.575
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| Canonical SMILES |
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(cc3)C(C)(C)C)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C25H26N4O3S/c1-25(2,3)17-11-9-15(10-12-17)18-14-33-23(26-18)27-20(30)13-16-7-6-8-19-21(16)22(31)29(5)24(32)28(19)4/h6-12,14H,13H2,1-5H3,(H,26,27,30)
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| InChIKey |
LYNYBISSXARLGD-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