General Information of the Compound
| Compound ID |
CP0415464
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| Compound Name |
CHEMBL3104913
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| Formula |
C19H14F2N4OS
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| Molecular Weight |
384.411
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| Canonical SMILES |
Oc1cc(CSc2ccc(F)c(F)c2)nc2nc(Cc3ccccc3)nn12
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| InChI |
InChI=1S/C19H14F2N4OS/c20-15-7-6-14(10-16(15)21)27-11-13-9-18(26)25-19(22-13)23-17(24-25)8-12-4-2-1-3-5-12/h1-7,9-10,26H,8,11H2
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| InChIKey |
ANHGTWBEUHFKLU-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