General Information of the Compound
| Compound ID |
CP0421184
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| Compound Name |
(1R,3R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-2-(2-fluoro-2-methylpropyl)-1,3-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C29H35F4N3O
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| Molecular Weight |
517.611
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F
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| InChI |
InChI=1S/C29H35F4N3O/c1-18-11-22-21-7-5-6-8-25(21)34-27(22)29(4,36(18)17-28(2,3)33)26-23(31)12-20(13-24(26)32)37-10-9-35-15-19(14-30)16-35/h5-8,12-13,18-19,34H,9-11,14-17H2,1-4H3/t18-,29-/m1/s1
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| InChIKey |
FSHFTGSLLQCUGD-LDLUVENISA-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