General Information of the Compound
| Compound ID |
CP0558948
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| Compound Name |
5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
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| Structure |
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| Formula |
C21H16FN3OS
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| Molecular Weight |
377.444
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| Canonical SMILES |
Cn1cc2c(cccc2n1)-c1ccc(CN2Cc3sccc3C2=O)c(F)c1
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| InChI |
InChI=1S/C21H16FN3OS/c1-24-11-17-15(3-2-4-19(17)23-24)13-5-6-14(18(22)9-13)10-25-12-20-16(21(25)26)7-8-27-20/h2-9,11H,10,12H2,1H3
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| InChIKey |
KOOTVIRLVVYPOG-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