General Information of the Compound
| Compound ID |
CP0446733
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| Compound Name |
(E)-3-[3,5-difluoro-4-[(6S,8R)-7-(2-fluoro-2-methylpropyl)-6,8-dimethyl-8,9-dihydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H26F3N3O2
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| Molecular Weight |
457.496
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
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| InChI |
InChI=1S/C25H26F3N3O2/c1-14-9-16-17-12-29-30-21(17)7-6-18(16)25(4,31(14)13-24(2,3)28)23-19(26)10-15(11-20(23)27)5-8-22(32)33/h5-8,10-12,14H,9,13H2,1-4H3,(H,29,30)(H,32,33)/b8-5+/t14-,25+/m1/s1
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| InChIKey |
OGBGSTSHRIVBAZ-PZOKILAKSA-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