General Information of the Compound
| Compound ID |
CP0967748
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| Compound Name |
4-(3,5-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)-thiomorpholine 1,1-Dioxide
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| Structure |
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| Formula |
C26H30F3N3O2S
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| Molecular Weight |
505.606
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CCS(=O)(=O)CC3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C26H30F3N3O2S/c1-16-12-19-18-6-4-5-7-22(18)30-24(19)25(32(16)15-26(2,3)29)23-20(27)13-17(14-21(23)28)31-8-10-35(33,34)11-9-31/h4-7,13-14,16,25,30H,8-12,15H2,1-3H3/t16-,25-/m1/s1
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| InChIKey |
OQOCZBHNNNNUOQ-PUAOIOHZSA-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