General Information of the Compound
| Compound ID |
CP0056281
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| Compound Name |
4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C19H21N3O4S
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| Molecular Weight |
387.461
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| Canonical SMILES |
CC1Cc2ccccc2N1C(=O)Cc1nc(sc1C(O)=O)N1CCOCC1
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| InChI |
InChI=1S/C19H21N3O4S/c1-12-10-13-4-2-3-5-15(13)22(12)16(23)11-14-17(18(24)25)27-19(20-14)21-6-8-26-9-7-21/h2-5,12H,6-11H2,1H3,(H,24,25)
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| InChIKey |
KRJAHQUEHOJBJP-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