General Information of the Compound
| Compound ID |
CP0472902
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| Compound Name |
6-(3-fluoro- 4-methoxy- phenyl)-5- [4-[(3S)-1- (3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-8,9- dihydro- 7H- benzo[7]- annulen-2-ol
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| Structure |
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| Formula |
C31H33F2NO3
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| Molecular Weight |
505.605
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| Canonical SMILES |
COc1ccc(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
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| InChI |
InChI=1S/C31H33F2NO3/c1-36-30-13-8-23(19-29(30)33)27-5-2-4-22-18-24(35)9-12-28(22)31(27)21-6-10-25(11-7-21)37-26-14-17-34(20-26)16-3-15-32/h6-13,18-19,26,35H,2-5,14-17,20H2,1H3/t26-/m0/s1
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| InChIKey |
JOGVMWOWLWIYFR-SANMLTNESA-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