General Information of the Compound
| Compound ID |
CP0395765
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| Compound Name |
N-[3-[4-[5-(2-chlorophenyl)-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 |
C31H43ClN6O2
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| Molecular Weight |
567.178
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| Canonical SMILES |
CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccc1Cl
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| InChI |
InChI=1S/C31H43ClN6O2/c1-21(13-16-33-30(39)29-22(2)34-20-35-23(29)3)36-17-14-25(15-18-36)38-28(26-11-7-8-12-27(26)32)19-37(31(38)40)24-9-5-4-6-10-24/h7-8,11-12,20-21,24-25,28H,4-6,9-10,13-19H2,1-3H3,(H,33,39)
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| InChIKey |
KOCOTUUHHFPNEF-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