General Information of the Compound
| Compound ID |
CP0486914
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| Compound Name |
6-bromo-4-[3-(1,3-dihydroisoindol-2-yl)propyl]-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C19H19BrN2O2
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| Molecular Weight |
387.277
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| Canonical SMILES |
Brc1ccc2OCC(=O)N(CCCN3Cc4ccccc4C3)c2c1
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| InChI |
InChI=1S/C19H19BrN2O2/c20-16-6-7-18-17(10-16)22(19(23)13-24-18)9-3-8-21-11-14-4-1-2-5-15(14)12-21/h1-2,4-7,10H,3,8-9,11-13H2
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| InChIKey |
FVQBFECXCKFNFT-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