General Information of the Compound
| Compound ID |
CP0526723
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| Compound Name |
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)hexanediamide
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| Structure |
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
CCn1c2ccccc2c2cc(NC(=O)CCCCC(=O)Nc3ccc(cc3)C#N)ccc12
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| InChI |
InChI=1S/C27H26N4O2/c1-2-31-24-8-4-3-7-22(24)23-17-21(15-16-25(23)31)30-27(33)10-6-5-9-26(32)29-20-13-11-19(18-28)12-14-20/h3-4,7-8,11-17H,2,5-6,9-10H2,1H3,(H,29,32)(H,30,33)
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| InChIKey |
WUKNQQGJECYIRR-UHFFFAOYSA-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