General Information of the Compound
| Compound ID |
CP0657883
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| Compound Name |
N1-(3,5-dichlorophenyl)-N1-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)-N3-(2,2,2-trifluoroethyl)propane-1,3-diamine
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| Structure |
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| Formula |
C23H21Cl2F3N6
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| Molecular Weight |
509.363
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| Canonical SMILES |
Cn1cc(-c2cnc3ccc(N(CCCNCC(F)(F)F)c4cc(Cl)cc(Cl)c4)cc3n2)cn1
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| InChI |
InChI=1S/C23H21Cl2F3N6/c1-33-13-15(11-31-33)22-12-30-20-4-3-18(10-21(20)32-22)34(6-2-5-29-14-23(26,27)28)19-8-16(24)7-17(25)9-19/h3-4,7-13,29H,2,5-6,14H2,1H3
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| InChIKey |
IZRLMSOUCGWVLU-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