General Information of the Compound
| Compound ID |
CP0409018
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| Compound Name |
N-[3-[4-(3-cyclohexyl-2-oxo-5-thiophen-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C29H42N6O2S
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| Molecular Weight |
538.762
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| Canonical SMILES |
CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccsc1
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| InChI |
InChI=1S/C29H42N6O2S/c1-20(9-13-30-28(36)27-21(2)31-19-32-22(27)3)33-14-10-25(11-15-33)35-26(23-12-16-38-18-23)17-34(29(35)37)24-7-5-4-6-8-24/h12,16,18-20,24-26H,4-11,13-15,17H2,1-3H3,(H,30,36)
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| InChIKey |
MSLNBTSKWRGVMU-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