General Information of the Compound
| Compound ID |
CP0468638
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| Compound Name |
N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-1-phenylpiperidine-2-carboxamide
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| Structure |
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| Formula |
C22H25Cl2N5O2
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| Molecular Weight |
462.381
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| Canonical SMILES |
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2CCCCN2c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C22H25Cl2N5O2/c1-14(30)27-20-17(23)11-15(12-18(20)24)13-26-22(25)28-21(31)19-9-5-6-10-29(19)16-7-3-2-4-8-16/h2-4,7-8,11-12,19H,5-6,9-10,13H2,1H3,(H,27,30)(H3,25,26,28,31)
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| InChIKey |
HRNVXNSOTQUOOB-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