General Information of the Compound
| Compound ID |
CP0436080
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| Compound Name |
CHEMBL3105081
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| Formula |
C18H12F2N4OS
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| Molecular Weight |
370.384
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| Canonical SMILES |
Oc1cc(CSc2cccc(F)c2F)nc2cc(nn12)-c1ccccn1
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| InChI |
InChI=1S/C18H12F2N4OS/c19-12-4-3-6-15(18(12)20)26-10-11-8-17(25)24-16(22-11)9-14(23-24)13-5-1-2-7-21-13/h1-9,25H,10H2
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| InChIKey |
DILNOCIQZYMINX-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