General Information of the Compound
| Compound ID |
CP0240439
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| Compound Name |
3,3-dimethyl-N-(2-(4-sulfamoylphenylamino)-5,6-dihydrobenzo[h]quinazolin-8-yl)butanamide
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| Structure |
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| Formula |
C24H27N5O3S
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| Molecular Weight |
465.579
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| Canonical SMILES |
CC(C)(C)CC(=O)Nc1ccc-2c(CCc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc-23)c1
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| InChI |
InChI=1S/C24H27N5O3S/c1-24(2,3)13-21(30)27-18-8-11-20-15(12-18)4-5-16-14-26-23(29-22(16)20)28-17-6-9-19(10-7-17)33(25,31)32/h6-12,14H,4-5,13H2,1-3H3,(H,27,30)(H2,25,31,32)(H,26,28,29)
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| InChIKey |
AGMOCPFJNJCUEI-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