General Information of the Compound
| Compound ID |
CP0804304
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| Compound Name |
2-[4-(7-{(Cyclopropylmethyl)[3-(2-hydroxyethoxy)-5-methoxyphenyl]amino}quinoxalin-2-yl)-1H-pyrazol-1-yl]ethanol hydrochloride
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| Structure |
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| Formula |
C26H30ClN5O4
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| Molecular Weight |
512.01
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| Canonical SMILES |
COc1cc(OCCO)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C26H29N5O4.ClH/c1-34-22-10-21(11-23(13-22)35-9-8-33)31(16-18-2-3-18)20-4-5-24-25(12-20)29-26(15-27-24)19-14-28-30(17-19)6-7-32;/h4-5,10-15,17-18,32-33H,2-3,6-9,16H2,1H3;1H
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| InChIKey |
NTAJFSBXUQKVTI-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