General Information of the Compound
| Compound ID |
CP0029639
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| Compound Name |
N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
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| Structure |
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| Formula |
C17H17N3O
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| Molecular Weight |
279.343
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| Canonical SMILES |
CNC(=O)c1ccc2[nH]nc(Cc3cccc(C)c3)c2c1
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| InChI |
InChI=1S/C17H17N3O/c1-11-4-3-5-12(8-11)9-16-14-10-13(17(21)18-2)6-7-15(14)19-20-16/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,20)
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| InChIKey |
JMTPOBLXKZZYCU-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