General Information of the Compound
| Compound ID |
CP0960881
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| Compound Name |
2-(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)-2-azaspiro-[3.3]heptane-6-carboxylic Acid
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| Structure |
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| Formula |
C29H32F3N3O2
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| Molecular Weight |
511.588
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CC4(CC(C(=O)O)C4)C3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C29H32F3N3O2/c1-16-8-20-19-6-4-5-7-23(19)33-25(20)26(35(16)13-28(2,3)32)24-21(30)9-18(10-22(24)31)34-14-29(15-34)11-17(12-29)27(36)37/h4-7,9-10,16-17,26,33H,8,11-15H2,1-3H3,(H,36,37)/t16-,26-/m1/s1
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| InChIKey |
ZEUZRHUOQOIYHE-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