General Information of the Compound
| Compound ID |
CP0809104
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| Compound Name |
(S)-1-(2-((3,5-dimethoxyphenyl)(3-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethyl)pyrrolidine-3-carbonitrile
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| Structure |
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| Formula |
C32H37N7O3
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| Molecular Weight |
567.694
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2CC[C@H](C#N)C2)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1
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| InChI |
InChI=1S/C32H37N7O3/c1-40-28-13-27(14-29(16-28)41-2)39(10-9-37-8-5-24(17-33)20-37)26-3-4-30-31(15-26)36-32(19-34-30)25-18-35-38(22-25)21-23-6-11-42-12-7-23/h3-4,13-16,18-19,22-24H,5-12,20-21H2,1-2H3/t24-/m1/s1
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| InChIKey |
FNJXQSFBTXMNDB-XMMPIXPASA-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