General Information of the Compound
| Compound ID |
CP0544674
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| Compound Name |
US8772297, Y241
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| Structure |
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| Formula |
C23H30N6O6S2
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| Molecular Weight |
550.663
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N=[N+]=[N-])CC1
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| InChI |
InChI=1S/C23H30N6O6S2/c1-23(2,3)35-22(30)29-13-11-17(12-14-29)16-25-36(31,32)20-5-4-6-21(15-20)37(33,34)27-19-9-7-18(8-10-19)26-28-24/h4-10,15,17,25,27H,11-14,16H2,1-3H3
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| InChIKey |
XBEGHFZJJRQECO-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