General Information of the Compound
| Compound ID |
CP0458419
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| Compound Name |
1-benzyl-3-[4-(2,3-dimethylanilino)quinazolin-6-yl]thiourea
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| Structure |
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| Formula |
C24H23N5S
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| Molecular Weight |
413.55
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| Canonical SMILES |
Cc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1C
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| InChI |
InChI=1S/C24H23N5S/c1-16-7-6-10-21(17(16)2)29-23-20-13-19(11-12-22(20)26-15-27-23)28-24(30)25-14-18-8-4-3-5-9-18/h3-13,15H,14H2,1-2H3,(H2,25,28,30)(H,26,27,29)
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| InChIKey |
RMMZAAQVCSGOHX-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