General Information of the Compound
| Compound ID |
CP0913691
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| Compound Name |
2,2-Difluoro-3-((1R,3R)-1-(2-fluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)propan-1-ol
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| Structure |
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| Formula |
C27H32F4N4O
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| Molecular Weight |
504.572
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
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| InChI |
InChI=1S/C27H32F4N4O/c1-17-11-22-20-5-2-3-6-24(20)33-25(22)26(35(17)15-27(30,31)16-36)21-8-7-18(12-23(21)29)32-19-13-34(14-19)10-4-9-28/h2-3,5-8,12,17,19,26,32-33,36H,4,9-11,13-16H2,1H3/t17-,26-/m1/s1
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| InChIKey |
KRMPODQFMDXWMT-WGDIFIGCSA-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