General Information of the Compound
| Compound ID |
CP0147985
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| Compound Name |
4-Amino-N-(4-chlorobenzyl)-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H23ClN6O
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| Molecular Weight |
398.898
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| Canonical SMILES |
CN(Cc1ccc(Cl)cc1)C(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C20H23ClN6O/c1-26(12-14-2-4-15(21)5-3-14)19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-13-25-18/h2-6,9,13H,7-8,10-12,22H2,1H3,(H,23,24,25)
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| InChIKey |
NFJQCAXRJLNJSJ-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