General Information of the Compound
| Compound ID |
CP0657886
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| Compound Name |
N-(2-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C27H32ClN7O2
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| Molecular Weight |
522.053
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2C[C@@H]3C[C@H]2CN3)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H31N7O2.ClH/c1-32-16-18(13-30-32)27-15-29-25-5-4-20(11-26(25)31-27)34(7-6-33-17-19-8-22(33)14-28-19)21-9-23(35-2)12-24(10-21)36-3;/h4-5,9-13,15-16,19,22,28H,6-8,14,17H2,1-3H3;1H/t19-,22-;/m0./s1
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| InChIKey |
NQVUICANYJFDGS-CQERKEQDSA-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