General Information of the Compound
| Compound ID |
CP0961918
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| Compound Name |
N-{5-[3-(2-Amino-pyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-thiazol-2-yl}-2-(4-methyl-piperazin-1-yl)-acetamide
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| Formula |
C22H25N9OS
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| Molecular Weight |
463.571
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| Canonical SMILES |
Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cnc(N)nc3)n[nH]c2c1
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| InChI |
InChI=1S/C22H25N9OS/c1-13-20(33-22(26-13)27-18(32)12-31-7-5-30(2)6-8-31)14-3-4-16-17(9-14)28-29-19(16)15-10-24-21(23)25-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,28,29)(H2,23,24,25)(H,26,27,32)
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| InChIKey |
KSPRYVVVCMTVPC-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