General Information of the Compound
| Compound ID |
CP0080616
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| Compound Name |
4-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]benzenesulfonyl fluoride
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| Structure |
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| Formula |
C18H18FN5O3S
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| Molecular Weight |
403.439
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| Canonical SMILES |
Nc1ncnc2n(ccc12)C1CCN(CC1)C(=O)c1ccc(cc1)S(F)(=O)=O
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| InChI |
InChI=1S/C18H18FN5O3S/c19-28(26,27)14-3-1-12(2-4-14)18(25)23-8-5-13(6-9-23)24-10-7-15-16(20)21-11-22-17(15)24/h1-4,7,10-11,13H,5-6,8-9H2,(H2,20,21,22)
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| InChIKey |
STSQSRRMLHZFPL-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