General Information of the Compound
| Compound ID |
CP0241612
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| Compound Name |
6-(4-amino-3,5-dimethylphenyl)-8-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3,10-dihydro-2H-[1,4]dioxino[2,3-h][2,3]benzodiazepin-9-one
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| Structure |
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| Formula |
C23H23BrN4O4
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| Molecular Weight |
499.365
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| Canonical SMILES |
Cc1cc(cc(C)c1N)C1=NN(CC2CC(Br)=NO2)C(=O)Cc2cc3OCCOc3cc12
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| InChI |
InChI=1S/C23H23BrN4O4/c1-12-5-15(6-13(2)22(12)25)23-17-10-19-18(30-3-4-31-19)7-14(17)8-21(29)28(26-23)11-16-9-20(24)27-32-16/h5-7,10,16H,3-4,8-9,11,25H2,1-2H3
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| InChIKey |
AUEHVKZCUPPOIK-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