General Information of the Compound
| Compound ID |
CP0115545
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| Compound Name |
4-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C22H28N6O3
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| Molecular Weight |
424.505
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C22H28N6O3/c1-14(15-4-5-17(30-2)18(12-15)31-3)27-21(29)22(23)7-10-28(11-8-22)20-16-6-9-24-19(16)25-13-26-20/h4-6,9,12-14H,7-8,10-11,23H2,1-3H3,(H,27,29)(H,24,25,26)
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| InChIKey |
IYQIOQXDNPZMSK-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