General Information of the Compound
| Compound ID |
CP0876849
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| Compound Name |
SID49644899
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| Structure |
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| Formula |
C17H20FN5O
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| Molecular Weight |
329.379
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| Canonical SMILES |
C/C(=N\Nc1cc(N2CCOCC2)nc(C)n1)c1ccc(F)cc1
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| InChI |
InChI=1S/C17H20FN5O/c1-12(14-3-5-15(18)6-4-14)21-22-16-11-17(20-13(2)19-16)23-7-9-24-10-8-23/h3-6,11H,7-10H2,1-2H3,(H,19,20,22)/b21-12+
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| InChIKey |
XEMBTCUNACMZFD-CIAFOILYSA-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