General Information of the Compound
| Compound ID |
CP0873553
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| Compound Name |
SID24820819
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| Synonyms |
PMID27998201-Compound-1
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| Structure |
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| Formula |
C13H21N7O2
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| Molecular Weight |
307.358
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| Canonical SMILES |
COC(=O)CN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1
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| InChI |
InChI=1S/C13H21N7O2/c1-8(2)15-11-17-12(16-9(3)4)19-13(18-11)20(7-14)6-10(21)22-5/h8-9H,6H2,1-5H3,(H2,15,16,17,18,19)
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| InChIKey |
QYAYANIDXCPTDU-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
Clinical Information about the Compound
Drug 1 ( PMID27998201-Compound-1 )
| Drug Name | PMID27998201-Compound-1 | ||
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| Company | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS PRABHAKAR, Bellur, S. ELSHABRAWY, Hatem, A | ||
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