General Information of the Compound
| Compound ID |
CP0013615
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| Compound Name |
N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
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| Structure |
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| Formula |
C28H34FN5O5S
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| Molecular Weight |
571.675
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1F)N1CCOCC1
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| InChI |
InChI=1S/C28H34FN5O5S/c1-19-16-33(17-20(2)39-19)18-21-4-5-24(25(29)12-21)26-13-22(6-7-30-26)32-40(35,36)27-14-23(15-31-28(27)37-3)34-8-10-38-11-9-34/h4-7,12-15,19-20H,8-11,16-18H2,1-3H3,(H,30,32)/t19-,20+
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| InChIKey |
PYEOWMYSNXSXCF-BGYRXZFFSA-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