General Information of the Compound
| Compound ID |
CP0928211
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| Compound Name |
(E)-4-((4-Methylpiperazin-1-yl)methyl)-N-(3-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)propyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C31H33F3N6OS
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| Molecular Weight |
594.707
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| Canonical SMILES |
CN1CCN(Cc2ccc(C(=O)NCCCSc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C31H33F3N6OS/c1-39-14-16-40(17-15-39)21-23-7-6-22(19-27(23)31(32,33)34)30(41)36-13-4-18-42-25-9-10-26-28(37-38-29(26)20-25)11-8-24-5-2-3-12-35-24/h2-3,5-12,19-20H,4,13-18,21H2,1H3,(H,36,41)(H,37,38)/b11-8+
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| InChIKey |
ZEEQOSWDUWGQHY-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