General Information of the Compound
| Compound ID |
CP0174459
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| Compound Name |
4-[2-(4-chloro-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 |
C19H20ClN3O4S
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| Molecular Weight |
421.906
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| Canonical SMILES |
CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(O)=O)N1CCOCC1
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| InChI |
InChI=1S/C19H20ClN3O4S/c1-11-9-12-13(20)3-2-4-15(12)23(11)16(24)10-14-17(18(25)26)28-19(21-14)22-5-7-27-8-6-22/h2-4,11H,5-10H2,1H3,(H,25,26)
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| InChIKey |
BBFGUZXGQBPQCG-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