General Information of the Compound
| Compound ID |
CP0561391
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| Compound Name |
US8901315, 46
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| Structure |
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| Formula |
C22H26N4O3S
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| Molecular Weight |
426.542
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(cc1)C(=O)NCCO
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| InChI |
InChI=1S/C22H26N4O3S/c1-14-18-13-19(30-22(18)26(25-14)17-5-3-2-4-6-17)21(29)24-16-9-7-15(8-10-16)20(28)23-11-12-27/h7-10,13,17,27H,2-6,11-12H2,1H3,(H,23,28)(H,24,29)
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| InChIKey |
IAULYUMVWLNGJZ-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