General Information of the Compound
| Compound ID |
CP0837822
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| Compound Name |
(S)-1-((S)-3-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)-2-hydroxypropyl)pyrrolidine-3-carbonitrile hydrochloride
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| Structure |
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| Formula |
C28H32ClN7O3
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| Molecular Weight |
550.063
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| Canonical SMILES |
COc1cc(OC)cc(N(C[C@@H](O)CN2CC[C@H](C#N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C28H31N7O3.ClH/c1-33-16-20(13-31-33)28-14-30-26-5-4-21(10-27(26)32-28)35(22-8-24(37-2)11-25(9-22)38-3)18-23(36)17-34-7-6-19(12-29)15-34;/h4-5,8-11,13-14,16,19,23,36H,6-7,15,17-18H2,1-3H3;1H/t19-,23+;/m1./s1
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| InChIKey |
PSKWCLMSPRAKNX-GZAZMHIXSA-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