General Information of the Compound
| Compound ID |
CP0045844
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| Compound Name |
1-{2-[4-((R)-2,8-Dimethoxy-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)-phenoxy]-ethyl}-piperidine
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| Synonyms |
BDBM50310424
CHEMBL1085429
JNJ-19398990
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| Structure |
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| Formula |
C32H35NO5
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| Molecular Weight |
513.634
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| Canonical SMILES |
COc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(OC)cc1OCC3
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| InChI |
InChI=1S/C32H35NO5/c1-34-24-11-13-28-29(20-24)37-18-14-27-26-12-10-25(35-2)21-30(26)38-32(31(27)28)22-6-8-23(9-7-22)36-19-17-33-15-4-3-5-16-33/h6-13,20-21,32H,3-5,14-19H2,1-2H3/t32-/m1/s1
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| InChIKey |
IFCSDJGUXGRSFR-JGCGQSQUSA-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