General Information of the Compound
| Compound ID |
CP0441109
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| Compound Name |
US9186360, 1
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| Structure |
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| Formula |
C19H16BrN7O2S
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| Molecular Weight |
486.355
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| Canonical SMILES |
CN1C2=NCCN2c2ncn(CC(=O)Nc3nc(cs3)-c3ccc(Br)cc3)c2C1=O
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| InChI |
InChI=1S/C19H16BrN7O2S/c1-25-17(29)15-16(27-7-6-21-19(25)27)22-10-26(15)8-14(28)24-18-23-13(9-30-18)11-2-4-12(20)5-3-11/h2-5,9-10H,6-8H2,1H3,(H,23,24,28)
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| InChIKey |
UWDLUBUGDCCBFZ-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