General Information of the Compound
| Compound ID |
CP0085486
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| Compound Name |
4-amino-N-[1-(4-chlorophenyl)-3-(methanesulfonamido)propyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C22H28ClN7O3S
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| Molecular Weight |
506.032
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| Canonical SMILES |
CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H28ClN7O3S/c1-34(32,33)28-11-7-18(15-2-4-16(23)5-3-15)29-21(31)22(24)8-12-30(13-9-22)20-17-6-10-25-19(17)26-14-27-20/h2-6,10,14,18,28H,7-9,11-13,24H2,1H3,(H,29,31)(H,25,26,27)
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| InChIKey |
GHETXRUUPUTFCN-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