General Information of the Compound
| Compound ID |
CP0285969
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| Compound Name |
N-[4-(3-bromoanilino)-7-(3-imidazol-1-ylpropoxy)quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C23H21BrN6O2
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| Molecular Weight |
493.365
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cc(OCCCn4ccnc4)c(NC(=O)C=C)cc23)c1
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| InChI |
InChI=1S/C23H21BrN6O2/c1-2-22(31)29-20-12-18-19(13-21(20)32-10-4-8-30-9-7-25-15-30)26-14-27-23(18)28-17-6-3-5-16(24)11-17/h2-3,5-7,9,11-15H,1,4,8,10H2,(H,29,31)(H,26,27,28)
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| InChIKey |
HWQPAHSRLNVGKB-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