General Information of the Compound
| Compound ID |
CP0946570
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| Compound Name |
(E)-1-(4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)ethyl)urea
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| Structure |
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| Formula |
C30H32F3N7OS
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| Molecular Weight |
595.695
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)NCCSc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C30H32F3N7OS/c1-39-13-15-40(16-14-39)20-21-5-6-23(18-26(21)30(31,32)33)36-29(41)35-12-17-42-24-8-9-25-27(37-38-28(25)19-24)10-7-22-4-2-3-11-34-22/h2-11,18-19H,12-17,20H2,1H3,(H,37,38)(H2,35,36,41)/b10-7+
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| InChIKey |
AMBALVAOZOBTKP-JXMROGBWSA-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