General Information of the Compound
| Compound ID |
CP0547894
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| Compound Name |
7-(4-hydroxyphenyl)-8-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-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 |
Oc1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2cc(O)ccc2CC1
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| InChI |
InChI=1S/C28H29NO3/c30-23-9-3-20(4-10-23)26-14-8-21-5-11-24(31)19-27(21)28(26)22-6-12-25(13-7-22)32-18-17-29-15-1-2-16-29/h3-7,9-13,19,30-31H,1-2,8,14-18H2
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| InChIKey |
ABQSMVUFCAOOJG-UHFFFAOYSA-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