General Information of the Compound
| Compound ID |
CP0958972
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| Compound Name |
3-((1R,3R)-1-(2,6-Difluoro-4-((1-(3-fluoro-2-(fluoromethyl)propyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol
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| Formula |
C28H32F6N4O
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| Molecular Weight |
554.579
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CC(CF)CF)C3)cc2F)N1CC(F)(F)CO
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| InChI |
InChI=1S/C28H32F6N4O/c1-16-6-21-20-4-2-3-5-24(20)36-26(21)27(38(16)14-28(33,34)15-39)25-22(31)7-18(8-23(25)32)35-19-12-37(13-19)11-17(9-29)10-30/h2-5,7-8,16-17,19,27,35-36,39H,6,9-15H2,1H3/t16-,27-/m1/s1
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| InChIKey |
OPWXYDBEXHCDKA-CHAGWJKLSA-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