General Information of the Compound
| Compound ID |
CP0443521
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| Compound Name |
3-cyclohexyl-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 |
C30H36N4O3S
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| Molecular Weight |
532.71
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| Canonical SMILES |
O=C(CC1SC(N(C2CCCCC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C30H36N4O3S/c35-27(32-17-15-23(16-18-32)33-20-22-11-7-8-14-25(22)31-30(33)37)19-26-28(36)34(24-12-5-2-6-13-24)29(38-26)21-9-3-1-4-10-21/h1,3-4,7-11,14,23-24,26,29H,2,5-6,12-13,15-20H2,(H,31,37)
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| InChIKey |
JNNBEMMIPWPORE-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