General Information of the Compound
| Compound ID |
CP0953064
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| Compound Name |
Morpholine-4-sulfonic acid [2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C17H15F2N5O4S
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| Molecular Weight |
423.401
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| Canonical SMILES |
O=C(c1c(F)ccc(NS(=O)(=O)N2CCOCC2)c1F)c1c[nH]c2ncncc12
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| InChI |
InChI=1S/C17H15F2N5O4S/c18-12-1-2-13(23-29(26,27)24-3-5-28-6-4-24)15(19)14(12)16(25)10-8-21-17-11(10)7-20-9-22-17/h1-2,7-9,23H,3-6H2,(H,20,21,22)
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| InChIKey |
KLJWTCJVQRIKLM-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