General Information of the Compound
| Compound ID |
CP0013451
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| Compound Name |
6-[3-[1-hydroxy-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]hexanoic acid
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| Structure |
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| Formula |
C26H23N3O5
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| Molecular Weight |
457.486
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| Canonical SMILES |
ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C26H23N3O5/c30-22(31)12-2-1-7-13-28-15-19(17-9-4-6-11-21(17)28)24-23(25(32)29(34)26(24)33)18-14-27-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,27,34H,1-2,7,12-13H2,(H,30,31)
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| InChIKey |
YAPCPBJABJHWRU-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