General Information of the Compound
| Compound ID |
CP0649784
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| Compound Name |
N1-(2-aminobenzyl)-N2-(3,5-dimethoxycyclohexa-2,4-dienyl)-N1-isopropyl-N2-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine
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| Structure |
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| Formula |
C32H39N7O2
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| Molecular Weight |
553.711
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| Canonical SMILES |
COC1=CC(N(CCN(Cc2ccccc2N)C(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)CC(OC)=C1
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| InChI |
InChI=1S/C32H39N7O2/c1-22(2)38(21-23-8-6-7-9-29(23)33)12-13-39(26-14-27(40-4)17-28(15-26)41-5)25-10-11-30-31(16-25)36-32(19-34-30)24-18-35-37(3)20-24/h6-11,14,16-20,22,26H,12-13,15,21,33H2,1-5H3
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| InChIKey |
HWWQXUZGAMVNAJ-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