General Information of the Compound
| Compound ID |
CP0407430
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| Compound Name |
5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C31H33N5O3S
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| Molecular Weight |
555.704
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| Canonical SMILES |
O=C(CC1SC(N(CCc2ccccn2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C31H33N5O3S/c37-28(34-17-14-25(15-18-34)36-21-23-10-4-5-12-26(23)33-31(36)39)20-27-29(38)35(19-13-24-11-6-7-16-32-24)30(40-27)22-8-2-1-3-9-22/h1-12,16,25,27,30H,13-15,17-21H2,(H,33,39)
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| InChIKey |
ORUBJGQMGRVXLS-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