General Information of the Compound
| Compound ID |
CP0469283
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| Compound Name |
US9051311, 36
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| Structure |
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| Formula |
C30H32F3N5O4S
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| Molecular Weight |
615.678
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(=CC1)c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
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| InChI |
InChI=1S/C30H32F3N5O4S/c1-29(2,3)42-28(39)37-14-10-20(11-15-37)26-17-22(30(31,32)33)7-8-25(26)24-6-4-5-21-18-38(16-12-23(21)24)43(40,41)36-27-9-13-34-19-35-27/h4-10,13,17,19H,11-12,14-16,18H2,1-3H3,(H,34,35,36)
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| InChIKey |
LPYVYKODQLEZSQ-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