General Information of the Compound
| Compound ID |
CP0964277
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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-yl]-thiazol-2-yl}-benzamide
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| Structure |
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| Formula |
C31H31N7OS
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| Molecular Weight |
549.704
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| Canonical SMILES |
Cc1nc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C31H31N7OS/c1-21-29(24-10-12-26-27(35-36-28(26)19-24)13-11-25-5-3-4-14-32-25)40-31(33-21)34-30(39)23-8-6-22(7-9-23)20-38-17-15-37(2)16-18-38/h3-14,19H,15-18,20H2,1-2H3,(H,35,36)(H,33,34,39)/b13-11+
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| InChIKey |
NRYREJABGBRRKZ-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