General Information of the Compound
| Compound ID |
CP0575833
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| Compound Name |
6-(4-cyclopropyl-2-methylphenyl)-5-[4-[[1-(3-fluoropropyl)azetidin-3-ylidene]methyl]phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
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| Formula |
C35H36FNO2
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| Molecular Weight |
521.676
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| Canonical SMILES |
Cc1cc(ccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(cc2CCC1)C(O)=O)C1CC1
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| InChI |
InChI=1S/C35H36FNO2/c1-23-18-28(26-10-11-26)12-14-31(23)33-5-2-4-29-20-30(35(38)39)13-15-32(29)34(33)27-8-6-24(7-9-27)19-25-21-37(22-25)17-3-16-36/h6-9,12-15,18-20,26H,2-5,10-11,16-17,21-22H2,1H3,(H,38,39)
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| InChIKey |
BIEKUHNAASOQJB-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