General Information of the Compound
| Compound ID |
CP0719271
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| Compound Name |
N1-(3,5-dimethoxyphenyl)-N2-isopropyl-N1-(3-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine
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| Structure |
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| Formula |
C29H36N6O3
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| Molecular Weight |
516.646
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| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCOCC5)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H36N6O3/c1-20(2)30-9-10-34(24-13-25(36-3)16-26(14-24)37-4)23-5-6-27-28(15-23)33-29(18-31-27)21-17-32-35(19-21)22-7-11-38-12-8-22/h5-6,13-20,22,30H,7-12H2,1-4H3
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| InChIKey |
OXOGSNQFCPKZMA-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: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2