General Information of the Compound
| Compound ID |
CP0518085
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| Compound Name |
2-(4-oxo-3-(3-(piperidin-1-yl)propyl)-3,4-dihydroquinazolin-2-ylthio)-N-phenethylacetamide
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| Structure |
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| Formula |
C26H32N4O2S
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| Molecular Weight |
464.635
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| Canonical SMILES |
O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NCCc1ccccc1
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| InChI |
InChI=1S/C26H32N4O2S/c31-24(27-15-14-21-10-3-1-4-11-21)20-33-26-28-23-13-6-5-12-22(23)25(32)30(26)19-9-18-29-16-7-2-8-17-29/h1,3-6,10-13H,2,7-9,14-20H2,(H,27,31)
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| InChIKey |
MEYBQPYUGFRCTC-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