General Information of the Compound
| Compound ID |
CP0263306
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| Compound Name |
(3-Bromo-phenyl)-(10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-yl)-amine
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| Structure |
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| Formula |
C17H13BrN4O
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| Molecular Weight |
369.222
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3Oc4ccccc4CNc23)c1
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| InChI |
InChI=1S/C17H13BrN4O/c18-12-5-3-6-13(8-12)22-16-15-17(21-10-20-16)23-14-7-2-1-4-11(14)9-19-15/h1-8,10,19H,9H2,(H,20,21,22)
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| InChIKey |
WPYSHFFDOUQSGB-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