General Information of the Compound
| Compound ID |
CP0859669
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| Compound Name |
5-[4-[(3S)-1-(3-Fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-6-(1H-indol-5-yl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
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| Structure |
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| Formula |
C32H33FN2O2
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| Molecular Weight |
496.626
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| Canonical SMILES |
Oc1ccc2c(c1)CCCC(c1ccc3[nH]ccc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1
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| InChI |
InChI=1S/C32H33FN2O2/c33-15-2-17-35-18-14-28(21-35)37-27-9-5-22(6-10-27)32-29(24-7-12-31-25(19-24)13-16-34-31)4-1-3-23-20-26(36)8-11-30(23)32/h5-13,16,19-20,28,34,36H,1-4,14-15,17-18,21H2/t28-/m0/s1
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| InChIKey |
QQKFOZPCEKQATC-NDEPHWFRSA-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