General Information of the Compound
| Compound ID |
CP0409748
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| Compound Name |
(3aR,6aS)-5-[1-(2-fluorophenyl)indazol-4-yl]-2-(3-hydroxy-3-methylbutanoyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
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| Structure |
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| Formula |
C24H25FN4O3
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| Molecular Weight |
436.487
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| Canonical SMILES |
CC(C)(O)CC(=O)N1C[C@H]2CN(C(=O)[C@H]2C1)c1cccc2n(ncc12)-c1ccccc1F
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| InChI |
InChI=1S/C24H25FN4O3/c1-24(2,32)10-22(30)27-12-15-13-28(23(31)17(15)14-27)19-8-5-9-20-16(19)11-26-29(20)21-7-4-3-6-18(21)25/h3-9,11,15,17,32H,10,12-14H2,1-2H3/t15-,17-/m0/s1
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| InChIKey |
RLXGMHWKXRLKHB-RDJZCZTQSA-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: PT03022, Sodium channel protein type 2 subunit alpha
Protein ID: PT03042, Sodium channel protein type 3 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