General Information of the Compound
| Compound ID |
CP0887511
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| Compound Name |
(R)-4-(2-((7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl)pyrrolidin-1-ylsulfonyl)-2-fluoro-N-(thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H20FN7O4S3
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| Molecular Weight |
537.624
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| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)N2CCC[C@@H]2CNc2ncnc3[nH]ccc23)cc1F
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| InChI |
InChI=1S/C20H20FN7O4S3/c21-16-10-14(3-4-17(16)34(29,30)27-20-23-7-9-33-20)35(31,32)28-8-1-2-13(28)11-24-19-15-5-6-22-18(15)25-12-26-19/h3-7,9-10,12-13H,1-2,8,11H2,(H,23,27)(H2,22,24,25,26)/t13-/m1/s1
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| InChIKey |
AJZCQEXBFZEAOC-CYBMUJFWSA-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