General Information of the Compound
| Compound ID |
CP0506834
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| Compound Name |
US8802711, 121
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| Structure |
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| Formula |
C17H19N5OS
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| Molecular Weight |
341.44
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| Canonical SMILES |
Cc1csc(n1)[C@H]1CC[C@H](C1)NC(=O)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C17H19N5OS/c1-10-9-24-16(19-10)11-5-6-12(7-11)20-17(23)21-14-3-2-4-15-13(14)8-18-22-15/h2-4,8-9,11-12H,5-7H2,1H3,(H,18,22)(H2,20,21,23)/t11-,12+/m0/s1
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| InChIKey |
MHISROGAGXEXMG-NWDGAFQWSA-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