General Information of the Compound
| Compound ID |
CP0964873
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| Compound Name |
N-[4-(4-Methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-3-[3-((E)-2-pyrazin-2-yl-vinyl)-1H-indazol-6-ylsulfanyl]-propionamide
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| Formula |
C29H30F3N7OS
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| Molecular Weight |
581.668
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(/C=C/c5cnccn5)n[nH]c4c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C29H30F3N7OS/c1-38-11-13-39(14-12-38)19-20-2-3-21(16-25(20)29(30,31)32)35-28(40)8-15-41-23-5-6-24-26(36-37-27(24)17-23)7-4-22-18-33-9-10-34-22/h2-7,9-10,16-18H,8,11-15,19H2,1H3,(H,35,40)(H,36,37)/b7-4+
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| InChIKey |
BTFIKTGGVWBTCR-QPJJXVBHSA-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