General Information of the Compound
| Compound ID |
CP0870437
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| Compound Name |
3-((1R,3R)-1-(2,6-Difluoro-4-((2-(3-(fluoromethyl)azetidin-1-yl)ethyl)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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| Structure |
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| Formula |
C27H31F5N4O
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| Molecular Weight |
522.562
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCN3CC(CF)C3)cc2F)N1CC(F)(F)CO
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| InChI |
InChI=1S/C27H31F5N4O/c1-16-8-20-19-4-2-3-5-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)9-18(10-22(24)30)33-6-7-35-12-17(11-28)13-35/h2-5,9-10,16-17,26,33-34,37H,6-8,11-15H2,1H3/t16-,26-/m1/s1
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| InChIKey |
LZLBFPYANSHCCS-AKJBCIBTSA-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