General Information of the Compound
| Compound ID |
CP0775912
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| Compound Name |
N-(3,5-dimethoxyphenyl)-N-((2-methylthiazol-4-yl)methyl)-3-(1-(2-(piperazin-1-yl)ethyl)-1H-pyrazol-4-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C30H34N8O2S
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| Molecular Weight |
570.723
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| Canonical SMILES |
COc1cc(OC)cc(N(Cc2csc(C)n2)c2ccc3ncc(-c4cnn(CCN5CCNCC5)c4)nc3c2)c1
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| InChI |
InChI=1S/C30H34N8O2S/c1-21-34-23(20-41-21)19-38(25-12-26(39-2)15-27(13-25)40-3)24-4-5-28-29(14-24)35-30(17-32-28)22-16-33-37(18-22)11-10-36-8-6-31-7-9-36/h4-5,12-18,20,31H,6-11,19H2,1-3H3
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| InChIKey |
KYDPEBSICGOHJT-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: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2