General Information of the Compound
| Compound ID |
CP0551204
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| Compound Name |
2,4-difluoro-N-[5-[5-[1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindol-5-yl]thiophen-2-yl]pyridin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C30H28F2N4O3S2
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| Molecular Weight |
594.709
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| Canonical SMILES |
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)N(CCN3CCCCC3)Cc2c1
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| InChI |
InChI=1S/C30H28F2N4O3S2/c31-23-5-9-29(26(32)16-23)41(38,39)34-24-15-21(17-33-18-24)28-8-7-27(40-28)20-4-6-25-22(14-20)19-36(30(25)37)13-12-35-10-2-1-3-11-35/h4-9,14-18,34H,1-3,10-13,19H2
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| InChIKey |
LPLNWOWXFYUPNA-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