General Information of the Compound
| Compound ID |
CP0558603
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-[(4-chlorophenyl)methyl]thiourea
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| Structure |
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| Formula |
C22H17BrClN5S
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| Molecular Weight |
498.837
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| Canonical SMILES |
Clc1ccc(CNC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
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| InChI |
InChI=1S/C22H17BrClN5S/c23-15-2-1-3-17(10-15)28-21-19-11-18(8-9-20(19)26-13-27-21)29-22(30)25-12-14-4-6-16(24)7-5-14/h1-11,13H,12H2,(H2,25,29,30)(H,26,27,28)
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| InChIKey |
HXCCVHJPYCRHIK-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