General Information of the Compound
| Compound ID |
CP0898530
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| Compound Name |
N-{4-Methyl-5-[3-(1-methyl-1H-pyrazol-3-yl)-1H-indazol-6-yl]-thiazol-2-yl}-2-(4-methyl-piperazin-1-yl)-acetamide
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| Formula |
C22H26N8OS
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| Molecular Weight |
450.572
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| Canonical SMILES |
Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3ccn(C)n3)n[nH]c2c1
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| InChI |
InChI=1S/C22H26N8OS/c1-14-21(32-22(23-14)24-19(31)13-30-10-8-28(2)9-11-30)15-4-5-16-18(12-15)25-26-20(16)17-6-7-29(3)27-17/h4-7,12H,8-11,13H2,1-3H3,(H,25,26)(H,23,24,31)
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| InChIKey |
NBFOCRNQBFYZQD-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