General Information of the Compound
| Compound ID |
CP0686855
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| Compound Name |
N-(3,5-dimethoxyphenyl)-N-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C29H37N7O2
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| Molecular Weight |
515.662
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2C[C@@H](C)N[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H37N7O2/c1-20-17-35(18-21(2)32-20)9-6-10-36(24-11-25(37-4)14-26(12-24)38-5)23-7-8-27-28(13-23)33-29(16-30-27)22-15-31-34(3)19-22/h7-8,11-16,19-21,32H,6,9-10,17-18H2,1-5H3/t20-,21+
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| InChIKey |
IJENXCZIMOXLKN-OYRHEFFESA-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