General Information of the Compound
| Compound ID |
CP0515444
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| Compound Name |
US8901315, 101
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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 |
COCC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
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| InChI |
InChI=1S/C22H26N4O3S/c1-14-18-12-19(30-22(18)26(25-14)17-6-4-3-5-7-17)21(28)24-16-10-8-15(9-11-16)23-20(27)13-29-2/h8-12,17H,3-7,13H2,1-2H3,(H,23,27)(H,24,28)
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| InChIKey |
MZXMREYTTWYYNV-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