General Information of the Compound
| Compound ID |
CP0500358
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| Compound Name |
5-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
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| Formula |
C21H13F2N3OS
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| Molecular Weight |
393.418
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| Canonical SMILES |
Fc1cc(cc(F)c1CN1Cc2ncsc2C1=O)-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C21H13F2N3OS/c22-16-7-14(12-3-4-18-13(6-12)2-1-5-24-18)8-17(23)15(16)9-26-10-19-20(21(26)27)28-11-25-19/h1-8,11H,9-10H2
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| InChIKey |
RXCFWPNZZXOVBV-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