General Information of the Compound
| Compound ID |
CP0403369
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| Compound Name |
1-benzyl-3-[4-(4-phenoxyanilino)quinazolin-6-yl]thiourea
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| Structure |
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| Formula |
C28H23N5OS
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| Molecular Weight |
477.593
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| Canonical SMILES |
S=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1
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| InChI |
InChI=1S/C28H23N5OS/c35-28(29-18-20-7-3-1-4-8-20)33-22-13-16-26-25(17-22)27(31-19-30-26)32-21-11-14-24(15-12-21)34-23-9-5-2-6-10-23/h1-17,19H,18H2,(H2,29,33,35)(H,30,31,32)
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| InChIKey |
SWCQQIFHDMHZRY-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