General Information of the Compound
| Compound ID |
CP0149118
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| Compound Name |
(S)-5-[4-(2-Dimethylamino-ethoxy)-phenyl]-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalene-2,8-diol
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| Structure |
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| Formula |
C27H27NO5
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| Molecular Weight |
445.515
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2
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| InChI |
InChI=1S/C27H27NO5/c1-28(2)12-14-31-20-7-3-17(4-8-20)27-26-22(21-9-5-19(30)16-25(21)33-27)11-13-32-24-15-18(29)6-10-23(24)26/h3-10,15-16,27,29-30H,11-14H2,1-2H3/t27-/m0/s1
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| InChIKey |
RBBNVYUJSNUMKA-MHZLTWQESA-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