General Information of the Compound
| Compound ID |
CP0946701
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| Compound Name |
(S)-methyl 4-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)butanoate
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| Structure |
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| Formula |
C26H28N4O4
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| Molecular Weight |
460.534
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| Canonical SMILES |
COC(=O)CCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C26H28N4O4/c1-16(2)33-23-12-9-17(14-18(23)15-27)26-29-25(30-34-26)21-7-4-6-20-19(21)10-11-22(20)28-13-5-8-24(31)32-3/h4,6-7,9,12,14,16,22,28H,5,8,10-11,13H2,1-3H3/t22-/m0/s1
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| InChIKey |
QQUKIJGSZBGOKT-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