General Information of the Compound
| Compound ID |
CP0505937
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| Compound Name |
CHEMBL1209052
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| Formula |
C21H19FN4OS
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| Molecular Weight |
394.475
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| Canonical SMILES |
Fc1cccc(c1)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1
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| InChI |
InChI=1S/C21H19FN4OS/c22-14-5-3-4-13(8-14)20(27)26-10-16-15(17(16)11-26)9-24-21-25-19(12-28-21)18-6-1-2-7-23-18/h1-8,12,15-17H,9-11H2,(H,24,25)/t15-,16+,17-
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| InChIKey |
YMAQXTGUXMWEBB-BJWYYQGGSA-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