General Information of the Compound
| Compound ID |
CP0390752
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| Compound Name |
N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C32H43N7O2
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| Molecular Weight |
557.743
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| Canonical SMILES |
CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(c1)C#N
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| InChI |
InChI=1S/C32H43N7O2/c1-22(12-15-34-31(40)30-23(2)35-21-36-24(30)3)37-16-13-28(14-17-37)39-29(26-9-7-8-25(18-26)19-33)20-38(32(39)41)27-10-5-4-6-11-27/h7-9,18,21-22,27-29H,4-6,10-17,20H2,1-3H3,(H,34,40)
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| InChIKey |
MBWNJJUXRXDXKX-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