General Information of the Compound
| Compound ID |
CP0898531
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| Compound Name |
N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-((3-(6-methylpyridin-3-yl)-1H-indazol-6-yl)thio)propanamide
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| Structure |
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| Formula |
C29H31F3N6OS
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| Molecular Weight |
568.669
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| Canonical SMILES |
Cc1ccc(-c2n[nH]c3cc(SCCC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)ccc23)cn1
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| InChI |
InChI=1S/C29H31F3N6OS/c1-19-3-4-20(17-33-19)28-24-8-7-23(16-26(24)35-36-28)40-14-9-27(39)34-22-6-5-21(25(15-22)29(30,31)32)18-38-12-10-37(2)11-13-38/h3-8,15-17H,9-14,18H2,1-2H3,(H,34,39)(H,35,36)
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| InChIKey |
KDKMNWYYOFLVFF-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