General Information of the Compound
| Compound ID |
CP0065546
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| Compound Name |
US10689705, Compound 46
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| Structure |
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| Formula |
C21H18N6O3S
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| Molecular Weight |
434.481
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| Canonical SMILES |
Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(cc3[nH]2)S(C)(=O)=O)c1N
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| InChI |
InChI=1S/C21H18N6O3S/c1-11-24-16-6-4-13(8-18(16)25-11)27-21(22)15(10-23-27)20(28)19-7-12-3-5-14(31(2,29)30)9-17(12)26-19/h3-10,26H,22H2,1-2H3,(H,24,25)
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| InChIKey |
HSDFQCXZKQOGKH-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