General Information of the Compound
| Compound ID |
CP0109320
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| Compound Name |
1-Methyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)--1H-indole-2,3-dione
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| Structure |
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| Formula |
C19H19N3O5S
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| Molecular Weight |
401.444
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| Canonical SMILES |
CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1cccnc1
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| InChI |
InChI=1S/C19H19N3O5S/c1-21-17-7-6-15(10-16(17)18(23)19(21)24)28(25,26)22-9-3-4-13(22)12-27-14-5-2-8-20-11-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3/t13-/m0/s1
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| InChIKey |
HLQVEUCDTUXVLS-ZDUSSCGKSA-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