General Information of the Compound
| Compound ID |
CP0547890
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| Compound Name |
6-(2- chloro-4- fluoro- phenyl)-5- [4-[(3S)-1- (3-fluoro- propyl)- pyrrolidin-3- yl]oxy- phenyl]-8,9- dihydro- 7H- benzo[7]- annulen-2-ol
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| Structure |
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| Formula |
C30H30ClF2NO2
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| Molecular Weight |
510.024
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| Canonical SMILES |
Oc1ccc2c(CCCC(c3ccc(F)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
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| InChI |
InChI=1S/C30H30ClF2NO2/c31-29-18-22(33)7-11-27(29)28-4-1-3-21-17-23(35)8-12-26(21)30(28)20-5-9-24(10-6-20)36-25-13-16-34(19-25)15-2-14-32/h5-12,17-18,25,35H,1-4,13-16,19H2/t25-/m0/s1
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| InChIKey |
QHPSZPHKTXKQOO-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