General Information of the Compound
| Compound ID |
CP0873006
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| Compound Name |
N'-(4-(3-Hydroxypropoxy)-3-methoxybenzylidene)-3-(3-methyl-1H-indol-1-yl)propanehydrazide
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| Structure |
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| Formula |
C23H27N3O4
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| Molecular Weight |
409.486
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| Canonical SMILES |
COc1cc(/C=N/NC(=O)CCn2cc(C)c3ccccc32)ccc1OCCCO
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| InChI |
InChI=1S/C23H27N3O4/c1-17-16-26(20-7-4-3-6-19(17)20)11-10-23(28)25-24-15-18-8-9-21(22(14-18)29-2)30-13-5-12-27/h3-4,6-9,14-16,27H,5,10-13H2,1-2H3,(H,25,28)/b24-15+
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| InChIKey |
JSNUSMFGNGSNKS-BUVRLJJBSA-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