General Information of the Compound
| Compound ID |
CP0462349
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| Compound Name |
CHEMBL3104909
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| Formula |
C26H22N4OS
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| Molecular Weight |
438.556
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| Canonical SMILES |
Cc1ccc(cc1)-c1cccc(SCc2cc(O)n3nc(Cc4ccccc4)nc3n2)c1
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| InChI |
InChI=1S/C26H22N4OS/c1-18-10-12-20(13-11-18)21-8-5-9-23(15-21)32-17-22-16-25(31)30-26(27-22)28-24(29-30)14-19-6-3-2-4-7-19/h2-13,15-16,31H,14,17H2,1H3
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| InChIKey |
ACWOZNUKAIVELF-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