General Information of the Compound
| Compound ID |
CP0461758
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| Compound Name |
4-[5-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
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| Structure |
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| Formula |
C24H22N4O5
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| Molecular Weight |
446.463
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| Canonical SMILES |
CC(C)Oc1cc(ccc1C#N)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
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| InChI |
InChI=1S/C24H22N4O5/c1-14(2)32-20-12-17(3-4-18(20)13-25)24-26-23(27-33-24)16-5-6-19-15(11-16)9-10-28(19)21(29)7-8-22(30)31/h3-6,11-12,14H,7-10H2,1-2H3,(H,30,31)
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| InChIKey |
KKTMCFIJPBKYLY-UHFFFAOYSA-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