General Information of the Compound
| Compound ID |
CP0074206
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| Compound Name |
(R)-5-[4-(2-Pyrrolidin-1-yl-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 |
C29H29NO5
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| Molecular Weight |
471.553
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| Canonical SMILES |
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3
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| InChI |
InChI=1S/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/m1/s1
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| InChIKey |
OKLGGBGAMNAZTC-GDLZYMKVSA-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