General Information of the Compound
| Compound ID |
CP0898527
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| Compound Name |
2-Amino-N-{4-methyl-5-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-yl]-thiazol-2-yl}-4-methylsulfanyl-butyramide
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| Formula |
C23H24N6OS2
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| Molecular Weight |
464.62
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| Canonical SMILES |
CSCCC(N)C(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1
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| InChI |
InChI=1S/C23H24N6OS2/c1-14-21(32-23(26-14)27-22(30)18(24)10-12-31-2)15-6-8-17-19(28-29-20(17)13-15)9-7-16-5-3-4-11-25-16/h3-9,11,13,18H,10,12,24H2,1-2H3,(H,28,29)(H,26,27,30)/b9-7+
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| InChIKey |
SOFGIYQAPYGIKD-VQHVLOKHSA-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