General Information of the Compound
| Compound ID |
CP0539259
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| Compound Name |
5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-6-(3- hydroxy- phenyl)-8,9- dihydro- 7H- benzo[7]- annulen-2-ol
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| Structure |
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| Formula |
C30H32FNO3
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| Molecular Weight |
473.588
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| Canonical SMILES |
Oc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
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| InChI |
InChI=1S/C30H32FNO3/c31-15-3-16-32-17-14-27(20-32)35-26-11-8-21(9-12-26)30-28(22-4-1-6-24(33)18-22)7-2-5-23-19-25(34)10-13-29(23)30/h1,4,6,8-13,18-19,27,33-34H,2-3,5,7,14-17,20H2/t27-/m0/s1
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| InChIKey |
ZOCIUTOGAXVSTJ-MHZLTWQESA-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