General Information of the Compound
| Compound ID |
CP0519266
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| Compound Name |
3-[(3,5-difluorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbothioamide
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| Structure |
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| Formula |
C23H25F2N5OS
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| Molecular Weight |
457.55
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| Canonical SMILES |
CN(C)c1ccc(NC(=S)N2CCc3c(C2)c(COc2cc(F)cc(F)c2)nn3C)cc1
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| InChI |
InChI=1S/C23H25F2N5OS/c1-28(2)18-6-4-17(5-7-18)26-23(32)30-9-8-22-20(13-30)21(27-29(22)3)14-31-19-11-15(24)10-16(25)12-19/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,26,32)
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| InChIKey |
IKWLOHGCSBHLAL-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