General Information of the Compound
| Compound ID |
CP0185338
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| Compound Name |
7-amino-3-(4-amino-3-methoxy-phenyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one
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| Structure |
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| Formula |
C20H18N4O2
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| Molecular Weight |
346.39
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| Canonical SMILES |
COc1cc(ccc1N)-c1ccc2c(Nc3cc(N)ccc3NC2=O)c1
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| InChI |
InChI=1S/C20H18N4O2/c1-26-19-9-12(3-6-15(19)22)11-2-5-14-17(8-11)23-18-10-13(21)4-7-16(18)24-20(14)25/h2-10,23H,21-22H2,1H3,(H,24,25)
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| InChIKey |
DWIPJLDMMUUBRZ-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