General Information of the Compound
| Compound ID |
CP0078527
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| Compound Name |
N-[3-(3-methyl-4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)-4-phenoxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C21H21N3O4S
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| Molecular Weight |
411.483
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| Canonical SMILES |
Cc1[nH]c(c2CCNC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
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| InChI |
InChI=1S/C21H21N3O4S/c1-13-19-16(10-11-22-21(19)25)20(23-13)17-12-14(24-29(2,26)27)8-9-18(17)28-15-6-4-3-5-7-15/h3-9,12,23-24H,10-11H2,1-2H3,(H,22,25)
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| InChIKey |
ZGNLBROTMZIJBB-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