General Information of the Compound
| Compound ID |
CP0868495
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| Compound Name |
(1R,3R)-1-(2,6-Difluoro-4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-2-(2,2-difluoroethyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C26H28F5N3O
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| Molecular Weight |
493.52
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)F
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| InChI |
InChI=1S/C26H28F5N3O/c1-15-8-19-18-4-2-3-5-22(18)32-25(19)26(34(15)14-23(30)31)24-20(28)9-17(10-21(24)29)35-7-6-33-12-16(11-27)13-33/h2-5,9-10,15-16,23,26,32H,6-8,11-14H2,1H3/t15-,26-/m1/s1
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| InChIKey |
WLUXMXKQQBSRPQ-PVPMGCCUSA-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