General Information of the Compound
| Compound ID |
CP0845317
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| Compound Name |
(E)-4,4'-(6-(2-(3,4,5-trimethoxybenzylidene)hydrazinyl)-1,3,5-triazine-2,4-diyl)dimorpholine
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| Structure |
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| Formula |
C21H29N7O5
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| Molecular Weight |
459.507
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| Canonical SMILES |
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C21H29N7O5/c1-29-16-12-15(13-17(30-2)18(16)31-3)14-22-26-19-23-20(27-4-8-32-9-5-27)25-21(24-19)28-6-10-33-11-7-28/h12-14H,4-11H2,1-3H3,(H,23,24,25,26)/b22-14+
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| InChIKey |
JBRKGAIVRLOFRY-HYARGMPZSA-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