General Information of the Compound
| Compound ID |
CP0149026
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| Compound Name |
(S)-5-[4-(3-Piperidin-1-yl-propoxy)-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 |
C31H33NO5
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| Molecular Weight |
499.607
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| Canonical SMILES |
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
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| InChI |
InChI=1S/C31H33NO5/c33-22-8-12-27-28(19-22)36-18-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-17-4-16-32-14-2-1-3-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/m0/s1
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| InChIKey |
YLXFTHBZFPHABL-HKBQPEDESA-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