General Information of the Compound
| Compound ID |
CP0547399
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| Compound Name |
1-benzyl-3-[4-(4-propan-2-ylanilino)quinazolin-6-yl]thiourea
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| Structure |
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| Formula |
C25H25N5S
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| Molecular Weight |
427.577
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| Canonical SMILES |
CC(C)c1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
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| InChI |
InChI=1S/C25H25N5S/c1-17(2)19-8-10-20(11-9-19)29-24-22-14-21(12-13-23(22)27-16-28-24)30-25(31)26-15-18-6-4-3-5-7-18/h3-14,16-17H,15H2,1-2H3,(H2,26,30,31)(H,27,28,29)
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| InChIKey |
QNFHQUCOSHXZJB-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