General Information of the Compound
| Compound ID |
CP0069744
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| Compound Name |
biarylether methoxy quinoline, 9a
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| Structure |
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| Formula |
C30H22F3NO2
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| Molecular Weight |
485.505
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| Canonical SMILES |
COc1ccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
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| InChI |
InChI=1S/C30H22F3NO2/c1-35-23-13-15-24(16-14-23)36-25-10-5-9-21(18-25)28-22(17-20-7-3-2-4-8-20)19-34-29-26(28)11-6-12-27(29)30(31,32)33/h2-16,18-19H,17H2,1H3
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| InChIKey |
RLNMZAJKGCKXRV-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