General Information of the Compound
| Compound ID |
CP0964878
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| Compound Name |
3-((3-Methyl-1H-indazol-6-yl)thio)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)propanamide
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| Structure |
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| Formula |
C24H28F3N5OS
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| Molecular Weight |
491.583
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| Canonical SMILES |
Cc1n[nH]c2cc(SCCC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc12
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| InChI |
InChI=1S/C24H28F3N5OS/c1-16-20-6-5-19(14-22(20)30-29-16)34-12-7-23(33)28-18-4-3-17(21(13-18)24(25,26)27)15-32-10-8-31(2)9-11-32/h3-6,13-14H,7-12,15H2,1-2H3,(H,28,33)(H,29,30)
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| InChIKey |
DRUXRIZELCVDHX-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