General Information of the Compound
| Compound ID |
CP0828600
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| Compound Name |
(Z)-2-oxo-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)-methylene]-2,3-dihydro-1H-indole-6-carboxylic Acid Isopropylamide
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| Formula |
C31H34N4O2
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| Molecular Weight |
494.639
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| Canonical SMILES |
CC(C)NC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN2CCCCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C31H34N4O2/c1-21(2)32-30(36)24-13-16-26-27(19-24)34-31(37)28(26)29(23-9-5-3-6-10-23)33-25-14-11-22(12-15-25)20-35-17-7-4-8-18-35/h3,5-6,9-16,19,21,33H,4,7-8,17-18,20H2,1-2H3,(H,32,36)(H,34,37)/b29-28-
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| InChIKey |
JBCISKARNROCAA-ZIADKAODSA-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: PT01221, TGF-beta receptor type-1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000749 | HUVEC-C | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 1070 nM
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