General Information of the Compound
| Compound ID |
CP0013616
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| Compound Name |
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyridin-3-yl]pyridine-3-sulfonamide
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| Formula |
C26H30N4O4S2
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| Molecular Weight |
526.684
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCCC2)s1)C1=CCOCC1
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| InChI |
InChI=1S/C26H30N4O4S2/c1-33-26-25(14-20(16-28-26)19-7-11-34-12-8-19)36(31,32)29-22-13-21(15-27-17-22)24-6-5-23(35-24)18-30-9-3-2-4-10-30/h5-7,13-17,29H,2-4,8-12,18H2,1H3
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| InChIKey |
VHVDCFXFNAMIPR-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