General Information of the Compound
| Compound ID |
CP0542203
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| Compound Name |
8-(2-methanesulfonylmethyl-thiazol-4-yl)-1,2,3,11-tetrahydro-5,11-diaza-benzo[a]trindene-4,6-dione
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| Structure |
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| Formula |
C22H17N3O4S2
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| Molecular Weight |
451.529
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| Canonical SMILES |
CS(=O)(=O)Cc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
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| InChI |
InChI=1S/C22H17N3O4S2/c1-31(28,29)9-16-23-15(8-30-16)10-5-6-14-13(7-10)17-19-18(21(26)25-22(19)27)11-3-2-4-12(11)20(17)24-14/h5-8,24H,2-4,9H2,1H3,(H,25,26,27)
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| InChIKey |
QJEQAJUGFHPAIA-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