General Information of the Compound
| Compound ID |
CP0509613
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| Compound Name |
N-(3-methoxyphenyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H23N5O2
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| Molecular Weight |
365.437
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| Canonical SMILES |
COc1cccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
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| InChI |
InChI=1S/C20H23N5O2/c1-13-11-21-18-17(13)19(23-12-22-18)25-8-6-14(7-9-25)20(26)24-15-4-3-5-16(10-15)27-2/h3-5,10-12,14H,6-9H2,1-2H3,(H,24,26)(H,21,22,23)
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| InChIKey |
JMAQIAGPIUIAPQ-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