General Information of the Compound
| Compound ID |
CP0008310
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| Compound Name |
5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]pyridin-3-yl]-2-methoxypyridine-3-sulfonamide
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| Formula |
C29H34N4O5S
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| Molecular Weight |
550.681
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1=CCOCC1
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| InChI |
InChI=1S/C29H34N4O5S/c1-20-17-33(18-21(2)38-20)19-22-4-6-23(7-5-22)25-12-27(16-30-14-25)32-39(34,35)28-13-26(15-31-29(28)36-3)24-8-10-37-11-9-24/h4-8,12-16,20-21,32H,9-11,17-19H2,1-3H3/t20-,21+
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| InChIKey |
MZWRJTXPNXCLMU-OYRHEFFESA-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