General Information of the Compound
| Compound ID |
CP0850935
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| Compound Name |
N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C29H33N5O3
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| Molecular Weight |
499.615
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H33N5O3/c1-35-25-11-24(12-26(14-25)36-2)34(18-20-3-4-20)23-5-6-27-28(13-23)32-29(16-30-27)22-15-31-33(19-22)17-21-7-9-37-10-8-21/h5-6,11-16,19-21H,3-4,7-10,17-18H2,1-2H3
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| InChIKey |
GYKUJANUHZAPRA-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