General Information of the Compound
| Compound ID |
CP0944988
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| Compound Name |
2,2-Difluoro-3-((6S,8R)-6-(4-((1-(3-fluoropropyl)azetidin-3-yl)amino)-2-methoxyphenyl)-8-methyl-3,6,8,9-tetrahydro-7H-pyrazolo[4,3-f]isoquinolin-7-yl)propan-1-ol
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| Structure |
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| Formula |
C27H34F3N5O2
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| Molecular Weight |
517.596
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| Canonical SMILES |
COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)CO
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| InChI |
InChI=1S/C27H34F3N5O2/c1-17-10-22-20(6-7-24-23(22)12-31-33-24)26(35(17)15-27(29,30)16-36)21-5-4-18(11-25(21)37-2)32-19-13-34(14-19)9-3-8-28/h4-7,11-12,17,19,26,32,36H,3,8-10,13-16H2,1-2H3,(H,31,33)/t17-,26+/m1/s1
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| InChIKey |
FAPHIOPFHPLRGC-QUGAMOGWSA-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