General Information of the Compound
| Compound ID |
CP0264844
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| Compound Name |
(R)-8-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-2-ol
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| Synonyms |
BDBM50310372
CHEMBL1088483
JNJ-26529152
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| Structure |
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| Formula |
C31H33NO5
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| Molecular Weight |
499.607
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| Canonical SMILES |
COc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
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| InChI |
InChI=1S/C31H33NO5/c1-34-24-10-12-25-26-13-17-36-28-19-22(33)7-11-27(28)30(26)31(37-29(25)20-24)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/m1/s1
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| InChIKey |
MEGWHNJGIHFDSO-WJOKGBTCSA-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
Clinical Information about the Compound