General Information of the Compound
| Compound ID |
CP0831842
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| Compound Name |
N-{3,5-Bis[(2H3)methyloxy]phenyl}-3-[1-(1-methylethyl)-1H-pyrazol-4-yl]-N-(3-pyridin-4-ylprop-2-yn-1-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C30H28N6O2
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| Molecular Weight |
510.6306107
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| Canonical SMILES |
[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])cc(N(CC#Cc2ccncc2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
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| InChI |
InChI=1S/C30H28N6O2/c1-21(2)36-20-23(18-33-36)30-19-32-28-8-7-24(16-29(28)34-30)35(13-5-6-22-9-11-31-12-10-22)25-14-26(37-3)17-27(15-25)38-4/h7-12,14-21H,13H2,1-4H3/i3D3,4D3
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| InChIKey |
PWYSFHRYCZIJJM-LIJFRPJRSA-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