General Information of the Compound
| Compound ID |
CP0462350
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| Compound Name |
CHEMBL3104901
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| Formula |
C18H22N4OS
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| Molecular Weight |
342.468
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| Canonical SMILES |
CCCCCSCc1cc(O)n2nc(Cc3ccccc3)nc2n1
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| InChI |
InChI=1S/C18H22N4OS/c1-2-3-7-10-24-13-15-12-17(23)22-18(19-15)20-16(21-22)11-14-8-5-4-6-9-14/h4-6,8-9,12,23H,2-3,7,10-11,13H2,1H3
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| InChIKey |
LQTWIMPPRWDCEB-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