General Information of the Compound
| Compound ID |
CP0000999
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| Compound Name |
(Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrol-3-yl]-propionic acid
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| Synonyms |
2,4-Dimethyl-5-[(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-pyrrole-3-propanoic acid
210644-62-5
252916-29-3
3-(2,4-dimethyl-5-{[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
9RL37ZZ665
CHEMBL274654
J-502593
NSC 702827
Orantinib
Orantinib (TSU-68)
Orantinib [INN]
Orantinibum
PDGFR Tyrosine Kinase Inhibitor VI, SU6668
Rosiglitazone + metformin
SU 6668
SU-6668
SU6668
TSU 68
TSU-68
TSU68
UNII-9RL37ZZ665
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| Structure |
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| Formula |
C18H18N2O3
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| Molecular Weight |
310.353
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| Canonical SMILES |
Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
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| InChI |
InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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| InChIKey |
NHFDRBXTEDBWCZ-ZROIWOOFSA-N
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| CAS |
210644-62-5
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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: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Clinical Information about the Compound
Drug 1 ( Rosiglitazone + metformin )
| Drug Name | Rosiglitazone + metformin | ||
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| Company | GSK | ||
| Indication | |||
| Target(s) |
Vascular endothelial growth factor receptor 2 (KDR)
Inhibitor
Aurora kinase A (AURKA)
Inhibitor
Fibroblast growth factor receptor 1 (FGFR1)
Inhibitor
Aurora kinase B (AURKB)
Inhibitor
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