General Information of the Compound
| Compound ID |
CP0401782
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| Compound Name |
2-benzyl-5-[1-(2-fluorophenyl)indazol-4-yl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
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| Structure |
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| Formula |
C26H23FN4O
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| Molecular Weight |
426.495
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| Canonical SMILES |
Fc1ccccc1-n1ncc2c(cccc12)N1CC2CN(Cc3ccccc3)CC2C1=O
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| InChI |
InChI=1S/C26H23FN4O/c27-22-9-4-5-10-25(22)31-24-12-6-11-23(20(24)13-28-31)30-16-19-15-29(17-21(19)26(30)32)14-18-7-2-1-3-8-18/h1-13,19,21H,14-17H2
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| InChIKey |
MNFGXJGJVQMIQT-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