General Information of the Compound
| Compound ID |
CP0325738
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| Compound Name |
US8614253, 38-2
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| Formula |
C16H16BrNO3
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| Molecular Weight |
350.212
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| Canonical SMILES |
COc1ccc(C\N=C\c2cc(Br)cc(OC)c2O)cc1
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| InChI |
InChI=1S/C16H16BrNO3/c1-20-14-5-3-11(4-6-14)9-18-10-12-7-13(17)8-15(21-2)16(12)19/h3-8,10,19H,9H2,1-2H3/b18-10+
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| InChIKey |
DNBYBUFULJDRSF-VCHYOVAHSA-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