General Information of the Compound
| Compound ID |
CP0443692
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| Compound Name |
3-[2-(diethylamino)ethyl]-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 |
C30H39N5O3S
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| Molecular Weight |
549.741
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| Canonical SMILES |
CCN(CC)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
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| InChI |
InChI=1S/C30H39N5O3S/c1-3-32(4-2)18-19-34-28(37)26(39-29(34)22-10-6-5-7-11-22)20-27(36)33-16-14-24(15-17-33)35-21-23-12-8-9-13-25(23)31-30(35)38/h5-13,24,26,29H,3-4,14-21H2,1-2H3,(H,31,38)
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| InChIKey |
NIDPZTCZMVRANJ-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