General Information of the Compound
| Compound ID |
CP0006369
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| Compound Name |
6-[3-[4-[1-(5-cyanopentyl)indol-3-yl]-1-hydroxy-2,5-dioxopyrrol-3-yl]indol-1-yl]hexanenitrile
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| Structure |
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| Formula |
C32H31N5O3
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| Molecular Weight |
533.632
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| Canonical SMILES |
ON1C(=O)C(=C(C1=O)c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12
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| InChI |
InChI=1S/C32H31N5O3/c33-17-9-1-3-11-19-35-21-25(23-13-5-7-15-27(23)35)29-30(32(39)37(40)31(29)38)26-22-36(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22,40H,1-4,9-12,19-20H2
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| InChIKey |
PKJLRWOISVLKLH-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
Protein ID: PT01223, Aurora kinase B
Protein ID: PT03105, Receptor-interacting serine/threonine-protein kinase 3
Cell Viability or Cytotoxicity Assay