General Information of the Compound
| Compound ID |
CP0467256
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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-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C30H31N5O3S
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| Molecular Weight |
541.677
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| Canonical SMILES |
O=C(CC1SC(N(Cc2cccnc2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C30H31N5O3S/c36-27(33-15-12-24(13-16-33)34-20-23-10-4-5-11-25(23)32-30(34)38)17-26-28(37)35(19-21-7-6-14-31-18-21)29(39-26)22-8-2-1-3-9-22/h1-11,14,18,24,26,29H,12-13,15-17,19-20H2,(H,32,38)
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| InChIKey |
AEDPQOMRRIKEBB-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