General Information of the Compound
| Compound ID |
CP0480016
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| Compound Name |
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-m-tolylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C20H23N5O
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| Molecular Weight |
349.438
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| Canonical SMILES |
Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3cccc(C)c3)c12
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| InChI |
InChI=1S/C20H23N5O/c1-13-4-3-5-16(10-13)24-20(26)15-6-8-25(9-7-15)19-17-14(2)11-21-18(17)22-12-23-19/h3-5,10-12,15H,6-9H2,1-2H3,(H,24,26)(H,21,22,23)
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| InChIKey |
YXANFBAJHKQOBF-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