General Information of the Compound
| Compound ID |
CP0569816
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| Compound Name |
US8772297, Y186
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| Structure |
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| Formula |
C27H40N4O6S2
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| Molecular Weight |
580.773
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| Canonical SMILES |
CCN(CC)c1ccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C27H40N4O6S2/c1-6-30(7-2)23-13-11-22(12-14-23)29-39(35,36)25-10-8-9-24(19-25)38(33,34)28-20-21-15-17-31(18-16-21)26(32)37-27(3,4)5/h8-14,19,21,28-29H,6-7,15-18,20H2,1-5H3
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| InChIKey |
ANKFREQTQATETM-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