General Information of the Compound
| Compound ID |
CP0524706
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| Compound Name |
CHEMBL3104906
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| Formula |
C21H20N4O3S
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| Molecular Weight |
408.483
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| Canonical SMILES |
COc1ccc(SCc2cc(O)n3nc(Cc4ccccc4)nc3n2)c(OC)c1
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| InChI |
InChI=1S/C21H20N4O3S/c1-27-16-8-9-18(17(12-16)28-2)29-13-15-11-20(26)25-21(22-15)23-19(24-25)10-14-6-4-3-5-7-14/h3-9,11-12,26H,10,13H2,1-2H3
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| InChIKey |
KNWAXJKZZCGOMR-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