General Information of the Compound
| Compound ID |
CP0726479
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| Compound Name |
tert-butyl 4-(3-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)prop-1-ynyl)-4-hydroxypiperidine-1-carboxylate, oxalate salt
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| Structure |
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| Formula |
C35H40N6O9
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| Molecular Weight |
688.738
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| Canonical SMILES |
COc1cc(OC)cc(N(CC#CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C33H38N6O5.C2H2O4/c1-32(2,3)44-31(40)38-14-11-33(41,12-15-38)10-7-13-39(25-16-26(42-5)19-27(17-25)43-6)24-8-9-28-29(18-24)36-30(21-34-28)23-20-35-37(4)22-23;3-1(4)2(5)6/h8-9,16-22,41H,11-15H2,1-6H3;(H,3,4)(H,5,6)
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| InChIKey |
NXLVPTVLMOJPJY-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