General Information of the Compound
| Compound ID |
CP0573223
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| Compound Name |
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxoacetamide
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2cnc3n(C)ccc3c2)cc1
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| InChI |
InChI=1S/C22H25N5O2/c1-16-3-5-17(6-4-16)15-26-9-11-27(12-10-26)22(29)21(28)24-19-13-18-7-8-25(2)20(18)23-14-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,28)
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| InChIKey |
GHZFOMHCUBYTGA-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