General Information of the Compound
| Compound ID |
CP0491462
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| Compound Name |
5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-6-(3- pyridyl)- 8,9- dihydro- 7H- benzo[7]- annulen-2-ol
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| Structure |
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| Formula |
C29H31FN2O2
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| Molecular Weight |
458.577
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| Canonical SMILES |
Oc1ccc2c(CCCC(c3cccnc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
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| InChI |
InChI=1S/C29H31FN2O2/c30-14-3-16-32-17-13-26(20-32)34-25-10-7-21(8-11-25)29-27(23-5-2-15-31-19-23)6-1-4-22-18-24(33)9-12-28(22)29/h2,5,7-12,15,18-19,26,33H,1,3-4,6,13-14,16-17,20H2/t26-/m0/s1
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| InChIKey |
NCANDHQUQRCDIG-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