General Information of the Compound
| Compound ID |
CP0527201
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| Compound Name |
N-[2-(4,7-dioxo-5-pyridin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H17N3O4S
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| Molecular Weight |
407.451
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| Canonical SMILES |
O=C1C=C(C(=O)c2c(CCNS(=O)(=O)c3ccccc3)c[nH]c12)c1cccnc1
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| InChI |
InChI=1S/C21H17N3O4S/c25-18-11-17(14-5-4-9-22-12-14)21(26)19-15(13-23-20(18)19)8-10-24-29(27,28)16-6-2-1-3-7-16/h1-7,9,11-13,23-24H,8,10H2
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| InChIKey |
IQMCEENRPYLSKQ-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