General Information of the Compound
| Compound ID |
CP0532888
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| Compound Name |
6-[4- (difluoro- methoxy)-2- fluoro- phenyl]-1- fluoro-5-[4- [(3S)-1-(3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-8,9- dihydro- 7H- benzo[7]- annulen-2-ol
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| Structure |
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| Formula |
C31H30F5NO3
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| Molecular Weight |
559.575
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| Canonical SMILES |
Oc1ccc2c(CCCC(c3ccc(OC(F)F)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F
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| InChI |
InChI=1S/C31H30F5NO3/c32-14-2-15-37-16-13-22(18-37)39-20-7-5-19(6-8-20)29-24(23-10-9-21(17-27(23)33)40-31(35)36)3-1-4-26-25(29)11-12-28(38)30(26)34/h5-12,17,22,31,38H,1-4,13-16,18H2/t22-/m0/s1
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| InChIKey |
GQXDOOQZYUMRGG-QFIPXVFZSA-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