General Information of the Compound
| Compound ID |
CP0412454
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| Compound Name |
US9186360, 22
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| Structure |
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| Formula |
C26H28N4O4S
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| Molecular Weight |
492.601
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| Canonical SMILES |
CC(C)CCOc1ccc(cc1)-c1csc(NC(=O)Cc2cccc3n(C)c(=O)n(C)c(=O)c23)n1
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| InChI |
InChI=1S/C26H28N4O4S/c1-16(2)12-13-34-19-10-8-17(9-11-19)20-15-35-25(27-20)28-22(31)14-18-6-5-7-21-23(18)24(32)30(4)26(33)29(21)3/h5-11,15-16H,12-14H2,1-4H3,(H,27,28,31)
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| InChIKey |
YGJKAILDLPIFCZ-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