General Information of the Compound
| Compound ID |
CP0012822
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| Compound Name |
5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]prop-1-ynyl]pyridin-3-yl]-2-methoxypyridine-3-sulfonamide
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| Formula |
C25H30N4O5S
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| Molecular Weight |
498.605
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C#CCN1C[C@H](C)O[C@H](C)C1)C1=CCOCC1
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| InChI |
InChI=1S/C25H30N4O5S/c1-18-16-29(17-19(2)34-18)8-4-5-20-11-23(15-26-13-20)28-35(30,31)24-12-22(14-27-25(24)32-3)21-6-9-33-10-7-21/h6,11-15,18-19,28H,7-10,16-17H2,1-3H3/t18-,19+
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| InChIKey |
BHKDTJDECRFNNM-KDURUIRLSA-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