General Information of the Compound
| Compound ID |
CP0470632
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| Compound Name |
US9012443, 469
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| Structure |
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| Formula |
C28H24N4O3S
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| Molecular Weight |
496.592
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| Canonical SMILES |
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1ccc(C)c(C)c1
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| InChI |
InChI=1S/C28H24N4O3S/c1-18-4-5-20(14-19(18)2)21-6-8-25(26(16-21)35-3)28-24-9-7-23(15-22(24)10-13-30-28)36(33,34)32-27-11-12-29-17-31-27/h4-17H,1-3H3,(H,29,31,32)
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| InChIKey |
WQSOJMSBQYNDEY-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha