General Information of the Compound
| Compound ID |
CP0933051
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| Compound Name |
(S)-methyl 3-(N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)sulfamoyl)-2,2-dimethylpropanoate
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| Structure |
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| Formula |
C27H30N4O6S
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| Molecular Weight |
538.626
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| Canonical SMILES |
COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C27H30N4O6S/c1-16(2)36-23-12-9-17(13-18(23)14-28)25-29-24(30-37-25)21-8-6-7-20-19(21)10-11-22(20)31-38(33,34)15-27(3,4)26(32)35-5/h6-9,12-13,16,22,31H,10-11,15H2,1-5H3/t22-/m0/s1
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| InChIKey |
AQHUAWYRDDTBDR-QFIPXVFZSA-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