General Information of the Compound
| Compound ID |
CP0142487
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| Compound Name |
4-amino-N-[1-(4-chlorophenyl)-2-(methanesulfonamido)ethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C21H26ClN7O3S
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| Molecular Weight |
492.005
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| Canonical SMILES |
CS(=O)(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H26ClN7O3S/c1-33(31,32)27-12-17(14-2-4-15(22)5-3-14)28-20(30)21(23)7-10-29(11-8-21)19-16-6-9-24-18(16)25-13-26-19/h2-6,9,13,17,27H,7-8,10-12,23H2,1H3,(H,28,30)(H,24,25,26)
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| InChIKey |
NZHFMDCYXYDUQJ-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