General Information of the Compound
| Compound ID |
CP0413837
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| Compound Name |
N-[3-[4-[3-cyclohexyl-5-(6-methylpyridin-2-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C31H45N7O2
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| Molecular Weight |
547.748
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| Canonical SMILES |
CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(C)n1
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| InChI |
InChI=1S/C31H45N7O2/c1-21-9-8-12-27(35-21)28-19-37(25-10-6-5-7-11-25)31(40)38(28)26-14-17-36(18-15-26)22(2)13-16-32-30(39)29-23(3)33-20-34-24(29)4/h8-9,12,20,22,25-26,28H,5-7,10-11,13-19H2,1-4H3,(H,32,39)
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| InChIKey |
RTYGTGBSHLMYRK-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