General Information of the Compound
| Compound ID |
CP0911490
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| Compound Name |
(6S,8R)-6-(4-(2-(3-(Fluoromethyl)azetidin-1-yl)ethoxy)-2-methoxyphenyl)-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 |
C28H37FN4O2
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| Molecular Weight |
480.628
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| Canonical SMILES |
COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)C
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| InChI |
InChI=1S/C28H37FN4O2/c1-18(2)15-33-19(3)11-24-22(7-8-26-25(24)14-30-31-26)28(33)23-6-5-21(12-27(23)34-4)35-10-9-32-16-20(13-29)17-32/h5-8,12,14,18-20,28H,9-11,13,15-17H2,1-4H3,(H,30,31)/t19-,28+/m1/s1
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| InChIKey |
OPSAUQHMFDUBTB-GDJIYFAZSA-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