General Information of the Compound
| Compound ID |
CP0282786
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| Compound Name |
4-(3-(2,4-dichlorophenyl)ureido)-1-methylpiperidinium
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| Structure |
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| Formula |
C13H17Cl2N3O
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| Molecular Weight |
302.205
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| Canonical SMILES |
CN1CCC(CC1)NC(=O)Nc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C13H17Cl2N3O/c1-18-6-4-10(5-7-18)16-13(19)17-12-3-2-9(14)8-11(12)15/h2-3,8,10H,4-7H2,1H3,(H2,16,17,19)
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| InChIKey |
OXPDJVPJMNHSDT-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