General Information of the Compound
| Compound ID |
CP0692301
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| Compound Name |
N1-(3-(1-(3-aminopropyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)-N1-(3,5-dimethoxyphenyl)-N2-isopropylethane-1,2-diamine, 2,2,2-trifluoroacetate salt
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| Structure |
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| Formula |
C29H36F3N7O4
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| Molecular Weight |
603.646
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| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCN)c4)nc3c2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H35N7O2.C2HF3O2/c1-19(2)29-9-11-34(22-12-23(35-3)15-24(13-22)36-4)21-6-7-25-26(14-21)32-27(17-30-25)20-16-31-33(18-20)10-5-8-28;3-2(4,5)1(6)7/h6-7,12-19,29H,5,8-11,28H2,1-4H3;(H,6,7)
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| InChIKey |
FTLYVYRWTXLATF-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