General Information of the Compound
| Compound ID |
CP0528946
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| Compound Name |
8-[4-[(3S)-1-ethylpyrrolidin-3-yl]oxyphenyl]-7-(4-hydroxyphenyl)-5,6-dihydronaphthalen-2-ol
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| Structure |
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| Formula |
C28H29NO3
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| Molecular Weight |
427.544
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| Canonical SMILES |
CCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCc2ccc(O)cc12)c1ccc(O)cc1
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| InChI |
InChI=1S/C28H29NO3/c1-2-29-16-15-25(18-29)32-24-12-6-21(7-13-24)28-26(19-3-9-22(30)10-4-19)14-8-20-5-11-23(31)17-27(20)28/h3-7,9-13,17,25,30-31H,2,8,14-16,18H2,1H3/t25-/m0/s1
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| InChIKey |
STOYEWQIUIMLLV-VWLOTQADSA-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