General Information of the Compound
| Compound ID |
CP0667755
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| Compound Name |
(R/S)-3-(3-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)prop-1-ynyl)pyrrolidin-3-ol
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| Structure |
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| Formula |
C27H28N6O3
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| Molecular Weight |
484.56
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| Canonical SMILES |
COc1cc(OC)cc(N(CC#CC2(O)CCNC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C27H28N6O3/c1-32-17-19(15-30-32)26-16-29-24-6-5-20(13-25(24)31-26)33(10-4-7-27(34)8-9-28-18-27)21-11-22(35-2)14-23(12-21)36-3/h5-6,11-17,28,34H,8-10,18H2,1-3H3
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| InChIKey |
JJPFEPQJBUBRFW-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