General Information of the Compound
| Compound ID |
CP0962306
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| Compound Name |
3-((1R,3R)-1-(2,6-Difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenyl)-8-fluoro-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-2,2-difluoropropan-1-ol
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| Structure |
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| Formula |
C27H30F6N4O
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| Molecular Weight |
540.552
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
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| InChI |
InChI=1S/C27H30F6N4O/c1-15-8-19-18-4-2-5-20(29)24(18)35-25(19)26(37(15)13-27(32,33)14-38)23-21(30)9-16(10-22(23)31)34-17-11-36(12-17)7-3-6-28/h2,4-5,9-10,15,17,26,34-35,38H,3,6-8,11-14H2,1H3/t15-,26-/m1/s1
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| InChIKey |
DGCYBRDAKZFTDA-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