General Information of the Compound
| Compound ID |
CP0379620
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| Compound Name |
methyl 3-[1-cyclohexyl-3-[1-[4-[(4,6-dimethylpyrimidine-5-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxoimidazolidin-4-yl]benzoate
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| Structure |
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| Formula |
C33H46N6O4
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| Molecular Weight |
590.769
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| Canonical SMILES |
COC(=O)c1cccc(c1)C1CN(C2CCCCC2)C(=O)N1C1CCN(CC1)C(C)CCNC(=O)c1c(C)ncnc1C
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| InChI |
InChI=1S/C33H46N6O4/c1-22(13-16-34-31(40)30-23(2)35-21-36-24(30)3)37-17-14-28(15-18-37)39-29(25-9-8-10-26(19-25)32(41)43-4)20-38(33(39)42)27-11-6-5-7-12-27/h8-10,19,21-22,27-29H,5-7,11-18,20H2,1-4H3,(H,34,40)
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| InChIKey |
SLEWUPBUEBQZJK-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