General Information of the Compound
| Compound ID |
CP0443687
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| Compound Name |
3-[(4-fluorophenyl)methyl]-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 |
C31H31FN4O3S
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| Molecular Weight |
558.679
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| Canonical SMILES |
Fc1ccc(CN2C(SC(CC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C2=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C31H31FN4O3S/c32-24-12-10-21(11-13-24)19-36-29(38)27(40-30(36)22-6-2-1-3-7-22)18-28(37)34-16-14-25(15-17-34)35-20-23-8-4-5-9-26(23)33-31(35)39/h1-13,25,27,30H,14-20H2,(H,33,39)
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| InChIKey |
UTHVZNJMQCOYRT-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