General Information of the Compound
| Compound ID |
CP0012985
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| Compound Name |
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-3-yl]pyridine-3-sulfonamide
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| Formula |
C27H30N4O4S
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| Molecular Weight |
506.628
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCC2)cc1)C1=CCOCC1
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| InChI |
InChI=1S/C27H30N4O4S/c1-34-27-26(15-24(17-29-27)22-8-12-35-13-9-22)36(32,33)30-25-14-23(16-28-18-25)21-6-4-20(5-7-21)19-31-10-2-3-11-31/h4-8,14-18,30H,2-3,9-13,19H2,1H3
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| InChIKey |
JYXMRJMVWFEYNI-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