General Information of the Compound
| Compound ID |
CP0950273
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| Compound Name |
6-(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)nicotinic Acid
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| Structure |
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| Formula |
C28H26F3N3O2
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| Molecular Weight |
493.529
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(-c3ccc(C(=O)O)cn3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C28H26F3N3O2/c1-15-10-19-18-6-4-5-7-23(18)33-25(19)26(34(15)14-28(2,3)31)24-20(29)11-17(12-21(24)30)22-9-8-16(13-32-22)27(35)36/h4-9,11-13,15,26,33H,10,14H2,1-3H3,(H,35,36)/t15-,26-/m1/s1
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| InChIKey |
IGRMTMPDGKXECQ-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