General Information of the Compound
| Compound ID |
CP0672782
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| Compound Name |
(2S)-1-{(3,5-Dimethoxyphenyl)[3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl]amino}-3-[(1-methylethyl)amino]propan-2-ol hydrochloride
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| Structure |
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| Formula |
C26H33ClN6O3
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| Molecular Weight |
513.042
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| Canonical SMILES |
COc1cc(OC)cc(N(C[C@@H](O)CNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C26H32N6O3.ClH/c1-17(2)27-13-21(33)16-32(20-8-22(34-4)11-23(9-20)35-5)19-6-7-24-25(10-19)30-26(14-28-24)18-12-29-31(3)15-18;/h6-12,14-15,17,21,27,33H,13,16H2,1-5H3;1H/t21-;/m0./s1
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| InChIKey |
PUCMKYWRDKWWQJ-BOXHHOBZSA-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