General Information of the Compound
| Compound ID |
CP0945135
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| Compound Name |
methyl 3-((E)-{[amino(imino)methyl]hydrazono}methyl)-4-[(4-chlorobenzyl)oxy]benzoate
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| Structure |
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| Formula |
C17H17ClN4O3
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| Molecular Weight |
360.801
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| Canonical SMILES |
COC(=O)c1ccc(OCc2ccc(Cl)cc2)c(/C=N/NC(=N)N)c1
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| InChI |
InChI=1S/C17H17ClN4O3/c1-24-16(23)12-4-7-15(13(8-12)9-21-22-17(19)20)25-10-11-2-5-14(18)6-3-11/h2-9H,10H2,1H3,(H4,19,20,22)/b21-9+
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| InChIKey |
FSQLNHZYUWYFSL-ZVBGSRNCSA-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