General Information of the Compound
| Compound ID |
CP0914926
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| Compound Name |
N'-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)methylene)-3-(3-methyl-1H-indol-1-yl)propanehydrazide
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
Cc1cn(CCC(=O)N/N=C/c2ccc3c(c2)OCCCO3)c2ccccc12
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| InChI |
InChI=1S/C22H23N3O3/c1-16-15-25(19-6-3-2-5-18(16)19)10-9-22(26)24-23-14-17-7-8-20-21(13-17)28-12-4-11-27-20/h2-3,5-8,13-15H,4,9-12H2,1H3,(H,24,26)/b23-14+
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| InChIKey |
CCQJPIZTAQEQOV-OEAKJJBVSA-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