General Information of the Compound
| Compound ID |
CP0563688
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| Compound Name |
(E)-3-[4-[(6R,8R)-7-(2-fluoro-2-methylpropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H26FN3O2
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| Molecular Weight |
407.489
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C24H26FN3O2/c1-15-12-19-18(9-10-21-20(19)13-26-27-21)23(28(15)14-24(2,3)25)17-7-4-16(5-8-17)6-11-22(29)30/h4-11,13,15,23H,12,14H2,1-3H3,(H,26,27)(H,29,30)/b11-6+/t15-,23-/m1/s1
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| InChIKey |
OEYMFWZLIZCCJF-BICNDEOQSA-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