General Information of the Compound
| Compound ID |
CP0461067
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| Compound Name |
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-1-methylcyclohexane-1-carboxamide
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| Structure |
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| Formula |
C25H30ClN3O2
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| Molecular Weight |
439.987
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| Canonical SMILES |
CC1(CCCCC1)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
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| InChI |
InChI=1S/C25H30ClN3O2/c1-25(12-6-3-7-13-25)24(31)27-20-10-11-22(21(26)18-20)28-14-16-29(17-15-28)23(30)19-8-4-2-5-9-19/h2,4-5,8-11,18H,3,6-7,12-17H2,1H3,(H,27,31)
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| InChIKey |
FOJDBRNWXWMNQL-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