General Information of the Compound
| Compound ID |
CP0965397
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| Compound Name |
N-{5-[3-(3-Fluoro-phenyl)-1H-indazol-6-yl]-4-methyl-thiazol-2-yl}-2-(4-methyl-piperazin-1-yl)-acetamide
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| Formula |
C24H25FN6OS
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| Molecular Weight |
464.57
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| Canonical SMILES |
Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cccc(F)c3)n[nH]c2c1
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| InChI |
InChI=1S/C24H25FN6OS/c1-15-23(33-24(26-15)27-21(32)14-31-10-8-30(2)9-11-31)17-6-7-19-20(13-17)28-29-22(19)16-4-3-5-18(25)12-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,29)(H,26,27,32)
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| InChIKey |
JQWRJBSSPBPQFP-UHFFFAOYSA-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