General Information of the Compound
| Compound ID |
CP0003435
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| Compound Name |
3-(1-ethylindol-3-yl)-1-hydroxy-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione
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| Structure |
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| Formula |
C25H23N3O3
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| Molecular Weight |
413.477
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| Canonical SMILES |
CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C(C)C)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C25H23N3O3/c1-4-26-13-18(16-9-5-7-11-20(16)26)22-23(25(30)28(31)24(22)29)19-14-27(15(2)3)21-12-8-6-10-17(19)21/h5-15,31H,4H2,1-3H3
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| InChIKey |
VGMGHXKQJJEULT-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