General Information of the Compound
| Compound ID |
CP0387294
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| Compound Name |
US9212182, 672
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| Structure |
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| Formula |
C27H19F3N4O4S
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| Molecular Weight |
552.534
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| Canonical SMILES |
COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H19F3N4O4S/c1-38-24-16-18(17-4-2-5-20(14-17)27(28,29)30)6-9-23(24)34-22-10-8-21(15-19(22)7-11-25(34)35)39(36,37)33-26-31-12-3-13-32-26/h2-16H,1H3,(H,31,32,33)
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| InChIKey |
HSOCYPPAQYZHMJ-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: PT02267, Sodium channel protein type 1 subunit alpha
Protein ID: PT03042, Sodium channel protein type 3 subunit alpha
Protein ID: PT03043, Sodium channel protein type 4 subunit alpha
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT03581, Sodium channel protein type 8 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Protein ID: PT02269, Sodium channel protein type 9 subunit alpha
Protein ID: PT04404, Sodium channel protein type 9 subunit alpha