General Information of the Compound
| Compound ID |
CP0946567
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| Compound Name |
4-(4-Methyl-piperazin-1-ylmethyl)-N-{4-methyl-5-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-ylsulfanyl]-thiazol-2-yl}-3-trifluoromethyl-benzamide
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| Formula |
C32H30F3N7OS2
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| Molecular Weight |
649.768
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| Canonical SMILES |
Cc1nc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)sc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C32H30F3N7OS2/c1-20-30(44-24-9-10-25-27(39-40-28(25)18-24)11-8-23-5-3-4-12-36-23)45-31(37-20)38-29(43)21-6-7-22(26(17-21)32(33,34)35)19-42-15-13-41(2)14-16-42/h3-12,17-18H,13-16,19H2,1-2H3,(H,39,40)(H,37,38,43)/b11-8+
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| InChIKey |
VTKXUCWCZAQITO-DHZHZOJOSA-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