General Information of the Compound
| Compound ID |
CP0339820
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| Compound Name |
1-(3-Bromo-phenylamino)-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cycloheptene-8-carboxylic acid
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| Structure |
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| Formula |
C18H13BrN4O3
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| Molecular Weight |
413.231
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| Canonical SMILES |
OC(=O)c1ccc2Oc3ncnc(Nc4cccc(Br)c4)c3NCc2c1
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| InChI |
InChI=1S/C18H13BrN4O3/c19-12-2-1-3-13(7-12)23-16-15-17(22-9-21-16)26-14-5-4-10(18(24)25)6-11(14)8-20-15/h1-7,9,20H,8H2,(H,24,25)(H,21,22,23)
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| InChIKey |
NBEDWPSUGFSPMW-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