General Information of the Compound
| Compound ID |
CP0466434
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| Compound Name |
6-(2- Chloro-3- fluoro- phenyl)-5- {4-[(S)-1- (3-fluoro- propyl)- pyrrolidin-3- yloxy]- phenyl}-8,9- dihydro- 7H- benzocyclo- heptene-2- carboxylic acid
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| Structure |
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| Formula |
C31H30ClF2NO3
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| Molecular Weight |
538.034
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| Canonical SMILES |
OC(=O)c1ccc2c(CCCC(c3cccc(F)c3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
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| InChI |
InChI=1S/C31H30ClF2NO3/c32-30-27(6-2-7-28(30)34)26-5-1-4-21-18-22(31(36)37)10-13-25(21)29(26)20-8-11-23(12-9-20)38-24-14-17-35(19-24)16-3-15-33/h2,6-13,18,24H,1,3-5,14-17,19H2,(H,36,37)/t24-/m0/s1
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| InChIKey |
DOHXNJZDPZLWAD-DEOSSOPVSA-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