General Information of the Compound
| Compound ID |
CP0964883
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| Compound Name |
2-Amino-N-{4-methyl-5-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-yl]-thiazol-2-yl}-3-phenyl-propionamide
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| Formula |
C27H24N6OS
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| Molecular Weight |
480.597
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| Canonical SMILES |
Cc1nc(NC(=O)C(N)Cc2ccccc2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C27H24N6OS/c1-17-25(35-27(30-17)31-26(34)22(28)15-18-7-3-2-4-8-18)19-10-12-21-23(32-33-24(21)16-19)13-11-20-9-5-6-14-29-20/h2-14,16,22H,15,28H2,1H3,(H,32,33)(H,30,31,34)/b13-11+
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| InChIKey |
YWKTZVYRLGRHDX-ACCUITESSA-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: PT00934, High affinity nerve growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2