General Information of the Compound
| Compound ID |
CP0704630
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| Compound Name |
(S)-N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)quinoxalin-6-amine
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| Structure |
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| Formula |
C25H28N6O2
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| Molecular Weight |
444.539
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| Canonical SMILES |
COc1cc(OC)cc(N(C[C@@H]2CCCN2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C25H28N6O2/c1-30-15-17(13-28-30)25-14-27-23-7-6-19(11-24(23)29-25)31(16-18-5-4-8-26-18)20-9-21(32-2)12-22(10-20)33-3/h6-7,9-15,18,26H,4-5,8,16H2,1-3H3/t18-/m0/s1
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| InChIKey |
SYQCXJZLWMRWKD-SFHVURJKSA-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