General Information of the Compound
| Compound ID |
CP0306439
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| Compound Name |
5S-(-)-[4-(2-diethylaminoethoxy)phenyl]-11,12-dihydro-5H-6,13-dioxabenzo-[3,4]cyclohepta[1,2-a]naphthalen-2-ol
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| Structure |
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| Formula |
C29H31NO4
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| Molecular Weight |
457.57
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| Canonical SMILES |
CCN(CC)CCOc1ccc(cc1)[C@@H]1Oc2ccccc2C2=C1c1ccc(O)cc1OCC2
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| InChI |
InChI=1S/C29H31NO4/c1-3-30(4-2)16-18-32-22-12-9-20(10-13-22)29-28-24(23-7-5-6-8-26(23)34-29)15-17-33-27-19-21(31)11-14-25(27)28/h5-14,19,29,31H,3-4,15-18H2,1-2H3/t29-/m0/s1
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| InChIKey |
KOJRQQVBJKHPBA-LJAQVGFWSA-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