General Information of the Compound
| Compound ID |
CP0914464
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| Compound Name |
N'-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-ylmethylene)-3-(3,4-dimethyl-1H-indol-1-yl)propanehydrazide
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| Structure |
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| Formula |
C23H25N3O3
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| Molecular Weight |
391.471
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| Canonical SMILES |
Cc1cccc2c1c(C)cn2CCC(=O)N/N=C/c1ccc2c(c1)OCCCO2
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| InChI |
InChI=1S/C23H25N3O3/c1-16-5-3-6-19-23(16)17(2)15-26(19)10-9-22(27)25-24-14-18-7-8-20-21(13-18)29-12-4-11-28-20/h3,5-8,13-15H,4,9-12H2,1-2H3,(H,25,27)/b24-14+
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| InChIKey |
GRONWALHRYGLEU-ZVHZXABRSA-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