General Information of the Compound
| Compound ID |
CP0557626
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| Compound Name |
US8901315, 79
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| Structure |
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| Formula |
C25H33N5O4S2
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| Molecular Weight |
531.704
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C25H33N5O4S2/c1-18-22-17-23(35-25(22)30(27-18)20-5-3-2-4-6-20)24(32)26-19-7-9-21(10-8-19)36(33,34)29-13-11-28(12-14-29)15-16-31/h7-10,17,20,31H,2-6,11-16H2,1H3,(H,26,32)
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| InChIKey |
XFDUCOMACSPVKA-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