General Information of the Compound
| Compound ID |
CP0007998
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| Compound Name |
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-3-yl]pyridine-3-sulfonamide
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| Formula |
C28H33N5O4S
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| Molecular Weight |
535.67
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(C)CC2)cc1)C1=CCOCC1
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| InChI |
InChI=1S/C28H33N5O4S/c1-32-9-11-33(12-10-32)20-21-3-5-22(6-4-21)24-15-26(19-29-17-24)31-38(34,35)27-16-25(18-30-28(27)36-2)23-7-13-37-14-8-23/h3-7,15-19,31H,8-14,20H2,1-2H3
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| InChIKey |
ZDAXIXBZLNLYRI-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