General Information of the Compound
| Compound ID |
CP0493426
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| Compound Name |
US9434711, 569
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| Structure |
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| Formula |
C20H19N5O2S2
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| Molecular Weight |
425.539
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| Canonical SMILES |
O=S(=O)(N(CCC1CC1)c1cc2ccccc2s1)c1ccc(cc1)-c1nnn[nH]1
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| InChI |
InChI=1S/C20H19N5O2S2/c26-29(27,17-9-7-15(8-10-17)20-21-23-24-22-20)25(12-11-14-5-6-14)19-13-16-3-1-2-4-18(16)28-19/h1-4,7-10,13-14H,5-6,11-12H2,(H,21,22,23,24)
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| InChIKey |
MAZIKMFPLIHSOO-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