General Information of the Compound
| Compound ID |
CP0560619
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| Compound Name |
US8741923, 22
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| Structure |
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| Formula |
C23H25N5O3S
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| Molecular Weight |
451.552
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| Canonical SMILES |
CC1CCCCN1c1ccc(cc1NS(C)(=O)=O)-c1nc(no1)-c1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C23H25N5O3S/c1-15-5-3-4-12-28(15)21-9-7-18(14-20(21)27-32(2,29)30)23-25-22(26-31-23)17-6-8-19-16(13-17)10-11-24-19/h6-11,13-15,24,27H,3-5,12H2,1-2H3
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| InChIKey |
KIWAQJKLWXUMEC-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