General Information of the Compound
| Compound ID |
CP0692219
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| Compound Name |
N-isopropyl-N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine hydrochloride
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| Structure |
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| Formula |
C24H29ClN6O2
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| Molecular Weight |
472.0073053
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| Canonical SMILES |
Cl.[2H]C([2H])([2H])Oc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
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| InChI |
InChI=1S/C24H28N6O2.ClH/c1-16(2)25-7-8-30(19-9-20(31-3)12-21(10-19)32-4)18-5-6-22-23(11-18)29-24(15-26-22)17-13-27-28-14-17;/h5-6,9-16,25H,7-8H2,1-4H3,(H,27,28);1H/i3D3;
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| InChIKey |
LROUZHGAXKBMPL-FJCVKDQNSA-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: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2