General Information of the Compound
| Compound ID |
CP0513578
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| Compound Name |
1-benzyl-3-[4-(2-bromoanilino)quinazolin-6-yl]thiourea
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| Structure |
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| Formula |
C22H18BrN5S
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| Molecular Weight |
464.392
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| Canonical SMILES |
Brc1ccccc1Nc1ncnc2ccc(NC(=S)NCc3ccccc3)cc12
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| InChI |
InChI=1S/C22H18BrN5S/c23-18-8-4-5-9-20(18)28-21-17-12-16(10-11-19(17)25-14-26-21)27-22(29)24-13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H2,24,27,29)(H,25,26,28)
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| InChIKey |
GBYYCQCRVAFUJL-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