General Information of the Compound
| Compound ID |
CP0862876
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| Compound Name |
SID49644133
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| Structure |
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| Formula |
C16H19N5O3
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| Molecular Weight |
329.36
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| Canonical SMILES |
Cc1nc(N/N=C/c2ccc(O)cc2O)cc(N2CCOCC2)n1
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| InChI |
InChI=1S/C16H19N5O3/c1-11-18-15(9-16(19-11)21-4-6-24-7-5-21)20-17-10-12-2-3-13(22)8-14(12)23/h2-3,8-10,22-23H,4-7H2,1H3,(H,18,19,20)/b17-10+
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| InChIKey |
JLNMWZOAVAJRGI-LICLKQGHSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06765, Hepcidin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic