General Information of the Compound
| Compound ID |
CP0443685
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| Compound Name |
3-(3,3-dimethylbutyl)-2-(2-imidazol-1-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C33H40N6O3S
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| Molecular Weight |
600.789
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| Canonical SMILES |
CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1-n1ccnc1
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| InChI |
InChI=1S/C33H40N6O3S/c1-33(2,3)14-18-38-30(41)28(43-31(38)25-9-5-7-11-27(25)37-19-15-34-22-37)20-29(40)36-16-12-24(13-17-36)39-21-23-8-4-6-10-26(23)35-32(39)42/h4-11,15,19,22,24,28,31H,12-14,16-18,20-21H2,1-3H3,(H,35,42)
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| InChIKey |
PHNSNDFSSDONGG-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