General Information of the Compound
| Compound ID |
CP0443691
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| Compound Name |
3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C29H34N4O4S
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| Molecular Weight |
534.682
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| Canonical SMILES |
O=C(CC1SC(N(CC2CCCO2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C29H34N4O4S/c34-26(31-14-12-22(13-15-31)32-18-21-9-4-5-11-24(21)30-29(32)36)17-25-27(35)33(19-23-10-6-16-37-23)28(38-25)20-7-2-1-3-8-20/h1-5,7-9,11,22-23,25,28H,6,10,12-19H2,(H,30,36)
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| InChIKey |
SPSOQAZOOCNLQY-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