General Information of the Compound
| Compound ID |
CP0907351
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| Compound Name |
(1R,3R)-1-(2,6-difluoro-4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-2-((3-fluorooxetan-3-yl)methyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C28H31F4N3O2
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| Molecular Weight |
517.567
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1(F)COC1
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| InChI |
InChI=1S/C28H31F4N3O2/c1-17-8-21-20-4-2-3-5-24(20)33-26(21)27(35(17)14-28(32)15-36-16-28)25-22(30)9-19(10-23(25)31)37-7-6-34-12-18(11-29)13-34/h2-5,9-10,17-18,27,33H,6-8,11-16H2,1H3/t17-,27-/m1/s1
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| InChIKey |
JJJTVYOYFYQVHM-XGCWNURASA-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