General Information of the Compound
| Compound ID |
CP0536213
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| Compound Name |
N-[4-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C22H18N2O2
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| Molecular Weight |
342.398
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| Canonical SMILES |
OC(c1ccccc1)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C22H18N2O2/c25-21(15-6-2-1-3-7-15)16-10-12-18(13-11-16)23-22(26)20-14-17-8-4-5-9-19(17)24-20/h1-14,21,24-25H,(H,23,26)
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| InChIKey |
YHPXMHDIUBYUFT-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 100000 nM
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TI
LI
LO
TS
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