General Information of the Compound
| Compound ID |
CP0667760
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| Compound Name |
(R)-1-((3-(1-(3-aminopropyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)(3,5-dimethoxyphenyl)amino)-3-methoxypropan-2-ol hydrochloride
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| Structure |
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| Formula |
C26H33ClN6O4
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| Molecular Weight |
529.041
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| Canonical SMILES |
COC[C@H](O)CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CCCN)c3)nc2c1.Cl
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| InChI |
InChI=1S/C26H32N6O4.ClH/c1-34-17-21(33)16-32(20-9-22(35-2)12-23(10-20)36-3)19-5-6-24-25(11-19)30-26(14-28-24)18-13-29-31(15-18)8-4-7-27;/h5-6,9-15,21,33H,4,7-8,16-17,27H2,1-3H3;1H/t21-;/m1./s1
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| InChIKey |
WEOKVCDNGWOSTF-ZMBIFBSDSA-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