General Information of the Compound
| Compound ID |
CP0579884
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| Compound Name |
6-(cyclobutylmethyl)-5-[4-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
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| Formula |
C30H36FNO2
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| Molecular Weight |
461.621
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| Canonical SMILES |
OC(=O)c1ccc2c(CCCC(CC3CCC3)=C2c2ccc(CC3CN(CCCF)C3)cc2)c1
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| InChI |
InChI=1S/C30H36FNO2/c31-14-3-15-32-19-23(20-32)16-22-8-10-24(11-9-22)29-26(17-21-4-1-5-21)7-2-6-25-18-27(30(33)34)12-13-28(25)29/h8-13,18,21,23H,1-7,14-17,19-20H2,(H,33,34)
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| InChIKey |
QITUUGITXWRHLV-UHFFFAOYSA-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