General Information of the Compound
| Compound ID |
CP0170580
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| Compound Name |
5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
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| Synonyms |
Indazole derivative 6
PMID27828716-Compound-12
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| Structure |
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| Formula |
C23H26F2N4O2
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| Molecular Weight |
428.483
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| Canonical SMILES |
COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
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| InChI |
InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
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| InChIKey |
QCLXNOBXQUWUEW-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
Clinical Information about the Compound