General Information of the Compound
| Compound ID |
CP0701296
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| Compound Name |
(1S,4S)-tert-butyl 5-(2-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
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| Structure |
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| Formula |
C32H39N7O4
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| Molecular Weight |
585.709
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C32H39N7O4/c1-32(2,3)43-31(40)39-20-24-11-25(39)19-37(24)9-10-38(23-12-26(41-5)15-27(13-23)42-6)22-7-8-28-29(14-22)35-30(17-33-28)21-16-34-36(4)18-21/h7-8,12-18,24-25H,9-11,19-20H2,1-6H3/t24-,25-/m0/s1
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| InChIKey |
XHBNHAFKLFDKSG-DQEYMECFSA-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