General Information of the Compound
| Compound ID |
CP0464570
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| Compound Name |
N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-ynamide
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| Structure |
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| Formula |
C17H11BrN4O
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| Molecular Weight |
367.206
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=O)C#C)cc23)c1
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| InChI |
InChI=1S/C17H11BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h1,3-10H,(H,21,23)(H,19,20,22)
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| InChIKey |
RHNCTEJANSMRNV-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