General Information of the Compound
| Compound ID |
CP0870201
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| Compound Name |
N-[4-(4-Methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-N'-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-yl]-malonamide
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| Formula |
C30H30F3N7O2
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| Molecular Weight |
577.611
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)CC(=O)Nc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C30H30F3N7O2/c1-39-12-14-40(15-13-39)19-20-5-6-22(16-25(20)30(31,32)33)35-28(41)18-29(42)36-23-7-9-24-26(37-38-27(24)17-23)10-8-21-4-2-3-11-34-21/h2-11,16-17H,12-15,18-19H2,1H3,(H,35,41)(H,36,42)(H,37,38)/b10-8+
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| InChIKey |
ZNYFPHPNAVYSFK-CSKARUKUSA-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