General Information of the Compound
| Compound ID |
CP0006646
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| Compound Name |
4-hydroxy-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione
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| Structure |
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| Formula |
C26H23N3O3
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| Molecular Weight |
425.488
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| Canonical SMILES |
ON1C(=O)C2=C(C1=O)c1cn(CCCCCCn3cc2c2ccccc32)c2ccccc12
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| InChI |
InChI=1S/C26H23N3O3/c30-25-23-19-15-27(21-11-5-3-9-17(19)21)13-7-1-2-8-14-28-16-20(24(23)26(31)29(25)32)18-10-4-6-12-22(18)28/h3-6,9-12,15-16,32H,1-2,7-8,13-14H2
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| InChIKey |
DSFLQDSPXCKHCF-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