General Information of the Compound
| Compound ID |
CP0198871
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| Compound Name |
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
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| Structure |
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| Formula |
C28H28N4O2
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| Molecular Weight |
452.558
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| Canonical SMILES |
CCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)Nc3ccc(cc3)C#N)ccc12
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| InChI |
InChI=1S/C28H28N4O2/c1-4-32-24-8-6-5-7-22(24)23-15-21(13-14-25(23)32)31-27(34)17-28(2,3)16-26(33)30-20-11-9-19(18-29)10-12-20/h5-15H,4,16-17H2,1-3H3,(H,30,33)(H,31,34)
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| InChIKey |
AWDLQRWCGUOKFJ-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