General Information of the Compound
| Compound ID |
CP0574727
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| Compound Name |
2,4-difluoro-N-[5-[5-[2-(2-morpholin-4-ylethyl)-1-oxo-3H-isoindol-5-yl]thiophen-2-yl]pyridin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C29H26F2N4O4S2
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| Molecular Weight |
596.681
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| Canonical SMILES |
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)N(CCN3CCOCC3)Cc2c1
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| InChI |
InChI=1S/C29H26F2N4O4S2/c30-22-2-6-28(25(31)15-22)41(37,38)33-23-14-20(16-32-17-23)27-5-4-26(40-27)19-1-3-24-21(13-19)18-35(29(24)36)8-7-34-9-11-39-12-10-34/h1-6,13-17,33H,7-12,18H2
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| InChIKey |
SPMILTIXMLQTJX-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