General Information of the Compound
| Compound ID |
CP0547893
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| Compound Name |
5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-6-[4- (trifluoro- methyl- sulfanyl)- phenyl]- 8,9- dihydro- 7H- benzo[7]- annulen-2-ol
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| Structure |
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| Formula |
C31H31F4NO2S
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| Molecular Weight |
557.653
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| Canonical SMILES |
Oc1ccc2c(CCCC(c3ccc(SC(F)(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
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| InChI |
InChI=1S/C31H31F4NO2S/c32-16-2-17-36-18-15-26(20-36)38-25-10-5-22(6-11-25)30-28(4-1-3-23-19-24(37)9-14-29(23)30)21-7-12-27(13-8-21)39-31(33,34)35/h5-14,19,26,37H,1-4,15-18,20H2/t26-/m0/s1
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| InChIKey |
KSHPIANNCSKMIT-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