General Information of the Compound
| Compound ID |
CP0074205
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| Compound Name |
(S)-5-[3-(2-Piperidin-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 |
C30H31NO5
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| Molecular Weight |
485.58
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| Canonical SMILES |
Oc1ccc2C3=C([C@@H](Oc2c1)c1cccc(OCCN2CCCCC2)c1)c1ccc(O)cc1OCC3
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| InChI |
InChI=1S/C30H31NO5/c32-21-8-10-26-27(18-21)35-15-11-25-24-9-7-22(33)19-28(24)36-30(29(25)26)20-5-4-6-23(17-20)34-16-14-31-12-2-1-3-13-31/h4-10,17-19,30,32-33H,1-3,11-16H2/t30-/m0/s1
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| InChIKey |
XGYIXXBEYYYIGU-PMERELPUSA-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