General Information of the Compound
| Compound ID |
CP0212053
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| Compound Name |
N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]-2-thiophen-3-ylacetamide
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| Structure |
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| Formula |
C24H21N5O3S2
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| Molecular Weight |
491.598
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Nc2ncc3CCc4cc(NC(=O)Cc5ccsc5)ccc4-c3n2)cc1
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| InChI |
InChI=1S/C24H21N5O3S2/c25-34(31,32)20-6-3-18(4-7-20)28-24-26-13-17-2-1-16-12-19(5-8-21(16)23(17)29-24)27-22(30)11-15-9-10-33-14-15/h3-10,12-14H,1-2,11H2,(H,27,30)(H2,25,31,32)(H,26,28,29)
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| InChIKey |
CDLKMCNDJHVLFG-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