General Information of the Compound
| Compound ID |
CP0868496
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| Compound Name |
3-((1R,3R)-1-(2,6-Difluoro-4-((1-propylazetidin-3-yl)amino)phenyl)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-2,2-difluoropropan-1-ol
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| Formula |
C27H32F4N4O
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| Molecular Weight |
504.572
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| Canonical SMILES |
CCCN1CC(Nc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(F)(F)CO)c(F)c2)C1
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| InChI |
InChI=1S/C27H32F4N4O/c1-3-8-34-12-18(13-34)32-17-10-21(28)24(22(29)11-17)26-25-20(19-6-4-5-7-23(19)33-25)9-16(2)35(26)14-27(30,31)15-36/h4-7,10-11,16,18,26,32-33,36H,3,8-9,12-15H2,1-2H3/t16-,26-/m1/s1
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| InChIKey |
SZRZELMHJGHJHD-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