General Information of the Compound
| Compound ID |
CP0958101
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| Compound Name |
5-chloro-N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C17H20ClN3O4S
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| Molecular Weight |
397.884
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| Canonical SMILES |
CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C17H20ClN3O4S/c1-21(13-4-6-26(24,25)7-5-13)16(22)10-19-17(23)15-9-11-8-12(18)2-3-14(11)20-15/h2-3,8-9,13,20H,4-7,10H2,1H3,(H,19,23)
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| InChIKey |
SKHMYKMFLKIBNN-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