General Information of the Compound
| Compound ID |
CP0444040
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| Compound Name |
5-[5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophen-2-yl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C24H22N2O3S
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| Molecular Weight |
418.518
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C24H22N2O3S/c1-25-10-12-26(13-11-25)23(27)17-4-2-16(3-5-17)21-8-9-22(30-21)18-6-7-20-19(14-18)15-29-24(20)28/h2-9,14H,10-13,15H2,1H3
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| InChIKey |
SBLPMTQVBIEFHT-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