General Information of the Compound
| Compound ID |
CP0250592
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| Compound Name |
4-amino-N-[1-(4-methylsulfonylphenyl)ethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C21H26N6O3S
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| Molecular Weight |
442.545
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| Canonical SMILES |
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H26N6O3S/c1-14(15-3-5-16(6-4-15)31(2,29)30)26-20(28)21(22)8-11-27(12-9-21)19-17-7-10-23-18(17)24-13-25-19/h3-7,10,13-14H,8-9,11-12,22H2,1-2H3,(H,26,28)(H,23,24,25)
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| InChIKey |
VEWPUFBIMQZXRG-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