General Information of the Compound
| Compound ID |
CP0426747
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| Compound Name |
N-[3-[4-[5-(4-bromophenyl)-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 |
C31H43BrN6O2
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| Molecular Weight |
611.629
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| Canonical SMILES |
CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C31H43BrN6O2/c1-21(13-16-33-30(39)29-22(2)34-20-35-23(29)3)36-17-14-27(15-18-36)38-28(24-9-11-25(32)12-10-24)19-37(31(38)40)26-7-5-4-6-8-26/h9-12,20-21,26-28H,4-8,13-19H2,1-3H3,(H,33,39)
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| InChIKey |
OBLSTCGAGZPSCE-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