General Information of the Compound
| Compound ID |
CP0413175
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| Compound Name |
CHEMBL3105080
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| Formula |
C17H11F2N3O2S
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| Molecular Weight |
359.357
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| Canonical SMILES |
Oc1cc(CSc2cccc(F)c2F)nc2cc(nn12)-c1ccco1
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| InChI |
InChI=1S/C17H11F2N3O2S/c18-11-3-1-5-14(17(11)19)25-9-10-7-16(23)22-15(20-10)8-12(21-22)13-4-2-6-24-13/h1-8,23H,9H2
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| InChIKey |
KRYBRGFHTMNSLG-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