General Information of the Compound
| Compound ID |
CP0916888
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| Compound Name |
N-(4-((6S,8R)-7-(2,2-Difluoroethyl)-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)-3-methoxyphenyl)-1-(3-fluoropropyl)azetidin-3-amine
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| Structure |
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| Formula |
C26H32F3N5O
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| Molecular Weight |
487.57
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| Canonical SMILES |
COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)F
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| InChI |
InChI=1S/C26H32F3N5O/c1-16-10-21-19(6-7-23-22(21)12-30-32-23)26(34(16)15-25(28)29)20-5-4-17(11-24(20)35-2)31-18-13-33(14-18)9-3-8-27/h4-7,11-12,16,18,25-26,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t16-,26+/m1/s1
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| InChIKey |
IVBCTFVBWGUGKC-DXPJPUQTSA-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