General Information of the Compound
| Compound ID |
CP0869913
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| Compound Name |
4-(4-Methyl-piperazin-1-ylmethyl)-N-{3-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-ylsulfanyl]-phenyl}-3-trifluoromethyl-benzamide
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| Formula |
C34H31F3N6OS
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| Molecular Weight |
628.724
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| Canonical SMILES |
CN1CCN(Cc2ccc(C(=O)Nc3cccc(Sc4ccc5c(/C=C/c6ccccn6)n[nH]c5c4)c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C34H31F3N6OS/c1-42-15-17-43(18-16-42)22-24-9-8-23(19-30(24)34(35,36)37)33(44)39-26-6-4-7-27(20-26)45-28-11-12-29-31(40-41-32(29)21-28)13-10-25-5-2-3-14-38-25/h2-14,19-21H,15-18,22H2,1H3,(H,39,44)(H,40,41)/b13-10+
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| InChIKey |
KHTFLVRYZUXPSI-JLHYYAGUSA-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