General Information of the Compound
| Compound ID |
CP0413989
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| Compound Name |
US9079902, 18
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| Structure |
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| Formula |
C23H16F3N5O2S2
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| Molecular Weight |
515.542
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| Canonical SMILES |
Cn1cc(-c2ccc(cc2-c2ccncc2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C23H16F3N5O2S2/c1-31-12-20(17-4-2-15(23(24,25)26)10-19(17)14-6-8-27-9-7-14)18-5-3-16(11-21(18)31)35(32,33)30-22-28-13-29-34-22/h2-13H,1H3,(H,28,29,30)
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| InChIKey |
NOFWVCGRUPOVAV-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