General Information of the Compound
| Compound ID |
CP0001850
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| Compound Name |
6-[3-[1-hydroxy-4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]hexanenitrile
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| Structure |
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| Formula |
C27H24N4O3
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| Molecular Weight |
452.514
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| Canonical SMILES |
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C27H24N4O3/c1-29-16-20(18-10-4-6-12-22(18)29)24-25(27(33)31(34)26(24)32)21-17-30(15-9-3-2-8-14-28)23-13-7-5-11-19(21)23/h4-7,10-13,16-17,34H,2-3,8-9,15H2,1H3
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| InChIKey |
XHCPBAACWOBIQV-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