General Information of the Compound
| Compound ID |
CP0523559
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| Compound Name |
6-(4-amino-3,5-dimethylphenyl)-2,3,8,10-tetrahydro-[1,4]dioxino[2,3-h][2,3]benzodiazepin-9-one
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| Structure |
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| Formula |
C19H19N3O3
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| Molecular Weight |
337.379
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| Canonical SMILES |
Cc1cc(cc(C)c1N)C1=NNC(=O)Cc2cc3OCCOc3cc12
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| InChI |
InChI=1S/C19H19N3O3/c1-10-5-13(6-11(2)18(10)20)19-14-9-16-15(24-3-4-25-16)7-12(14)8-17(23)21-22-19/h5-7,9H,3-4,8,20H2,1-2H3,(H,21,23)
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| InChIKey |
DZHZMUQHYGYDSE-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