General Information of the Compound
| Compound ID |
CP0412872
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| Compound Name |
N-[4-(3-bromoanilino)quinazolin-6-yl]morpholine-4-carbothioamide
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| Structure |
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| Formula |
C19H18BrN5OS
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| Molecular Weight |
444.358
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=S)N4CCOCC4)cc23)c1
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| InChI |
InChI=1S/C19H18BrN5OS/c20-13-2-1-3-14(10-13)23-18-16-11-15(4-5-17(16)21-12-22-18)24-19(27)25-6-8-26-9-7-25/h1-5,10-12H,6-9H2,(H,24,27)(H,21,22,23)
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| InChIKey |
OFWUKDGVIIOQRP-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