General Information of the Compound
| Compound ID |
CP0012333
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| Compound Name |
2-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-1-(4-methylphenyl)guanidine
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| Structure |
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| Formula |
C21H31N5O2
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| Molecular Weight |
385.512
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| Canonical SMILES |
CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(C)cc1
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| InChI |
InChI=1S/C21H31N5O2/c1-16-6-8-18(9-7-16)23-20(22)24-21(10-4-3-5-11-21)19(28)26-14-12-25(13-15-26)17(2)27/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)
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| InChIKey |
NFVVPTQVHGBUAA-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
Protein ID: PT04212, Endoplasmic reticulum aminopeptidase 1