General Information of the Compound
| Compound ID |
CP0701286
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| Compound Name |
2-(1-(2-((3,5-dimethoxyphenyl)(3-(1-isopropyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethyl)piperidin-4-yl)propan-2-ol
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| Structure |
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| Formula |
C32H42N6O3
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| Molecular Weight |
558.727
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2CCC(C(C)(C)O)CC2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
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| InChI |
InChI=1S/C32H42N6O3/c1-22(2)38-21-23(19-34-38)31-20-33-29-8-7-25(17-30(29)35-31)37(26-15-27(40-5)18-28(16-26)41-6)14-13-36-11-9-24(10-12-36)32(3,4)39/h7-8,15-22,24,39H,9-14H2,1-6H3
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| InChIKey |
DDUJNWDXTYPSCS-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