General Information of the Compound
| Compound ID |
CP0664785
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| Compound Name |
(S)-1-(2-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethyl)pyrrolidine-2-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C27H31ClN6O4
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| Molecular Weight |
539.036
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2CCC[C@H]2C(=O)O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H30N6O4.ClH/c1-31-17-18(15-29-31)25-16-28-23-7-6-19(13-24(23)30-25)33(10-9-32-8-4-5-26(32)27(34)35)20-11-21(36-2)14-22(12-20)37-3;/h6-7,11-17,26H,4-5,8-10H2,1-3H3,(H,34,35);1H/t26-;/m0./s1
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| InChIKey |
MPNAFJKVNZCMBJ-SNYZSRNZSA-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