General Information of the Compound
| Compound ID |
CP0399510
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| Compound Name |
9-Fluoro-5-(4-methoxy-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C26H24FNO2
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| Molecular Weight |
401.481
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| Canonical SMILES |
COc1ccc(cc1)C1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12
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| InChI |
InChI=1S/C26H24FNO2/c1-15-14-26(2,3)28-21-11-10-19-20-13-17(27)7-12-22(20)30-25(24(19)23(15)21)16-5-8-18(29-4)9-6-16/h5-14,25,28H,1-4H3
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| InChIKey |
KVTIALKVENTGTL-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