General Information of the Compound
| Compound ID |
CP0402179
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| Compound Name |
6-(2- chloro- phenyl)-5-[4- [(3S)-1-(3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-8,9- dihydro- 7H- benzo[7]- annulene-2- carboxylic acid
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| Structure |
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| Formula |
C31H31ClFNO3
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| Molecular Weight |
520.044
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| Canonical SMILES |
OC(=O)c1ccc2c(CCCC(c3ccccc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
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| InChI |
InChI=1S/C31H31ClFNO3/c32-29-8-2-1-6-27(29)28-7-3-5-22-19-23(31(35)36)11-14-26(22)30(28)21-9-12-24(13-10-21)37-25-15-18-34(20-25)17-4-16-33/h1-2,6,8-14,19,25H,3-5,7,15-18,20H2,(H,35,36)/t25-/m0/s1
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| InChIKey |
XOVGWMBSIUWRAG-VWLOTQADSA-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