General Information of the Compound
| Compound ID |
CP0485257
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| Compound Name |
7-(3-bromophenoxy)-13,14-dimethoxy-9-methyl-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
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| Structure |
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| Formula |
C20H18BrN3O4
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| Molecular Weight |
444.285
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| Canonical SMILES |
COc1cc2CN(C)c3c(Oc4cccc(Br)c4)ncnc3Oc2cc1OC
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| InChI |
InChI=1S/C20H18BrN3O4/c1-24-10-12-7-16(25-2)17(26-3)9-15(12)28-20-18(24)19(22-11-23-20)27-14-6-4-5-13(21)8-14/h4-9,11H,10H2,1-3H3
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| InChIKey |
AABTVDZTFBSBKN-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