General Information of the Compound
| Compound ID |
CP0133598
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| Compound Name |
US9546153, ex. 9
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| Structure |
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| Formula |
C21H25N5O2S
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| Molecular Weight |
411.531
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| Canonical SMILES |
CC(C)(O)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1
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| InChI |
InChI=1S/C21H25N5O2S/c1-21(2,28)7-8-22-20(27)15-11-23-19(10-17(15)25-13-3-4-13)26-14-5-6-16-18(9-14)29-12-24-16/h5-6,9-13,28H,3-4,7-8H2,1-2H3,(H,22,27)(H2,23,25,26)
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| InChIKey |
DMFIGSKKOIDXMB-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