General Information of the Compound
| Compound ID |
CP0873004
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| Compound Name |
3-(3-Chloro-4-methyl-1H-indol-1-yl)-N'-(3,4-dimethoxybenzylidene)propanehydrazide
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| Structure |
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| Formula |
C21H22ClN3O3
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| Molecular Weight |
399.878
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| Canonical SMILES |
COc1ccc(/C=N/NC(=O)CCn2cc(Cl)c3c(C)cccc32)cc1OC
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| InChI |
InChI=1S/C21H22ClN3O3/c1-14-5-4-6-17-21(14)16(22)13-25(17)10-9-20(26)24-23-12-15-7-8-18(27-2)19(11-15)28-3/h4-8,11-13H,9-10H2,1-3H3,(H,24,26)/b23-12+
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| InChIKey |
WYTHAEWSJFSFMQ-FSJBWODESA-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