General Information of the Compound
| Compound ID |
CP0412586
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| Compound Name |
US9186360, 75
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| Structure |
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| Formula |
C24H24Cl2N4O5S
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| Molecular Weight |
551.452
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| Canonical SMILES |
CC(C)COc1c(Cl)cc(cc1Cl)-c1csc(NC(=O)Cc2c(C)oc3n(C)c(=O)n(C)c(=O)c23)n1
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| InChI |
InChI=1S/C24H24Cl2N4O5S/c1-11(2)9-34-20-15(25)6-13(7-16(20)26)17-10-36-23(27-17)28-18(31)8-14-12(3)35-22-19(14)21(32)29(4)24(33)30(22)5/h6-7,10-11H,8-9H2,1-5H3,(H,27,28,31)
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| InChIKey |
HFTZDURZNKGJNR-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