General Information of the Compound
| Compound ID |
CP0916134
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| Compound Name |
(6S,8R)-6-(5-(2-(3-(Fluoromethyl)azetidin-1-yl)ethoxy)pyridin-2-yl)-7-isobutyl-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinoline
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| Structure |
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| Formula |
C26H34FN5O
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| Molecular Weight |
451.59
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| Canonical SMILES |
CC(C)CN1[C@H](c2ccc(OCCN3CC(CF)C3)cn2)c2ccc3[nH]ncc3c2C[C@H]1C
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| InChI |
InChI=1S/C26H34FN5O/c1-17(2)14-32-18(3)10-22-21(5-7-24-23(22)13-29-30-24)26(32)25-6-4-20(12-28-25)33-9-8-31-15-19(11-27)16-31/h4-7,12-13,17-19,26H,8-11,14-16H2,1-3H3,(H,29,30)/t18-,26+/m1/s1
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| InChIKey |
GHSOWDOULCGALK-DWXRJYCRSA-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