General Information of the Compound
| Compound ID |
CP0414918
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| Compound Name |
CHEMBL3105079
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| Formula |
C20H16F2N4OS
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| Molecular Weight |
398.438
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| Canonical SMILES |
Oc1cc(CSc2cccc(F)c2F)nc2nc(CCc3ccccc3)nn12
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| InChI |
InChI=1S/C20H16F2N4OS/c21-15-7-4-8-16(19(15)22)28-12-14-11-18(27)26-20(23-14)24-17(25-26)10-9-13-5-2-1-3-6-13/h1-8,11,27H,9-10,12H2
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| InChIKey |
YJGJWCLBACCLCP-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