General Information of the Compound
| Compound ID |
CP0906179
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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)propanoate
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| Structure |
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| Formula |
C25H26N4O6S
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| Molecular Weight |
510.572
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| Canonical SMILES |
COC(=O)CCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C25H26N4O6S/c1-15(2)34-22-10-7-16(13-17(22)14-26)25-27-24(28-35-25)20-6-4-5-19-18(20)8-9-21(19)29-36(31,32)12-11-23(30)33-3/h4-7,10,13,15,21,29H,8-9,11-12H2,1-3H3/t21-/m0/s1
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| InChIKey |
AGQZYMFXZCISNW-NRFANRHFSA-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