General Information of the Compound
| Compound ID |
CP0955071
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| Compound Name |
(R)-2-((4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)(ethyl)amino)-N,N-dimethylacetamide
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| Structure |
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| Formula |
C27H31N5O3
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| Molecular Weight |
473.577
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| Canonical SMILES |
CCN(CC(=O)N(C)C)[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C27H31N5O3/c1-6-32(16-25(33)31(4)5)23-12-11-20-21(23)8-7-9-22(20)26-29-27(35-30-26)18-10-13-24(34-17(2)3)19(14-18)15-28/h7-10,13-14,17,23H,6,11-12,16H2,1-5H3/t23-/m1/s1
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| InChIKey |
REVIBPCXMWZNCJ-HSZRJFAPSA-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