General Information of the Compound
| Compound ID |
CP0749417
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| Compound Name |
N1-(3,5-dimethoxyphenyl)-N2-isopropyl-N1-(3-(1-isopropyl-1H-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine hydrochloride
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| Structure |
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| Formula |
C27H35ClN6O2
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| Molecular Weight |
511.07
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| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H34N6O2.ClH/c1-18(2)28-9-10-32(22-11-23(34-5)14-24(12-22)35-6)21-7-8-25-26(13-21)31-27(16-29-25)20-15-30-33(17-20)19(3)4;/h7-8,11-19,28H,9-10H2,1-6H3;1H
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| InChIKey |
NDXCOBYSTJUJJD-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