General Information of the Compound
| Compound ID |
CP0156046
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| Compound Name |
4-amino-N-[2-amino-1-(4-chlorophenyl)-2-oxoethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H22ClN7O2
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| Molecular Weight |
427.896
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| Canonical SMILES |
NC(=O)C(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H22ClN7O2/c21-13-3-1-12(2-4-13)15(16(22)29)27-19(30)20(23)6-9-28(10-7-20)18-14-5-8-24-17(14)25-11-26-18/h1-5,8,11,15H,6-7,9-10,23H2,(H2,22,29)(H,27,30)(H,24,25,26)
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| InChIKey |
CAIYLCVURWLDCG-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