General Information of the Compound
| Compound ID |
CP0298530
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| Compound Name |
(-)-7,9-difluoro-5-(6-methyl-7-oxa-bicyclo[4.1.0]hept-2-yl)-2,2,4-trimethyl 2,5-dihydro-(1H)-6-oxa-1-aza-chrysen
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| Structure |
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| Formula |
C26H27F2NO2
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| Molecular Weight |
423.503
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4cc(F)cc(F)c4O[C@@H]([C@H]4CCC[C@@]5(C)O[C@@H]45)c3c12
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| InChI |
InChI=1S/C26H27F2NO2/c1-13-12-25(2,3)29-19-8-7-15-17-10-14(27)11-18(28)22(17)30-23(21(15)20(13)19)16-6-5-9-26(4)24(16)31-26/h7-8,10-12,16,23-24,29H,5-6,9H2,1-4H3/t16-,23+,24+,26-/m1/s1
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| InChIKey |
ZQAXPAQOUWPHMI-PYTIWUIXSA-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