General Information of the Compound
| Compound ID |
CP0558561
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| Compound Name |
1-(2-aminopyridin-4-yl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
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| Structure |
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| Formula |
C23H31N5O3
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| Molecular Weight |
425.533
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| Canonical SMILES |
CCO\N=C\c1ccc(OCCC(C)CCN2CCN(C2=O)c2ccnc(N)c2)cc1
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| InChI |
InChI=1S/C23H31N5O3/c1-3-31-26-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-27-13-14-28(23(27)29)20-8-11-25-22(24)16-20/h4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,24,25)/b26-17+
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| InChIKey |
SRJKGDFZRYDLKM-YZSQISJMSA-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: PT06427, Genome polyprotein
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2