General Information of the Compound
| Compound ID |
CP0458443
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| Compound Name |
CHEMBL3105077
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| Formula |
C18H18F2N4OS
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| Molecular Weight |
376.432
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| Canonical SMILES |
Oc1cc(CSc2cccc(F)c2F)nc2nc(nn12)C1CCCCC1
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| InChI |
InChI=1S/C18H18F2N4OS/c19-13-7-4-8-14(16(13)20)26-10-12-9-15(25)24-18(21-12)22-17(23-24)11-5-2-1-3-6-11/h4,7-9,11,25H,1-3,5-6,10H2
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| InChIKey |
NUKYCYVVSZBVHX-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