General Information of the Compound
| Compound ID |
CP0407942
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| Compound Name |
1-benzyl-3-[4-[4-(pyridin-2-ylsulfamoyl)anilino]quinazolin-6-yl]thiourea
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| Structure |
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| Formula |
C27H23N7O2S2
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| Molecular Weight |
541.662
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| Canonical SMILES |
O=S(=O)(Nc1ccccn1)c1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
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| InChI |
InChI=1S/C27H23N7O2S2/c35-38(36,34-25-8-4-5-15-28-25)22-12-9-20(10-13-22)32-26-23-16-21(11-14-24(23)30-18-31-26)33-27(37)29-17-19-6-2-1-3-7-19/h1-16,18H,17H2,(H,28,34)(H2,29,33,37)(H,30,31,32)
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| InChIKey |
MNJJJSPCPPOGKV-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