General Information of the Compound
| Compound ID |
CP0141097
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| Compound Name |
(4-amino-3,5-dichlorophenyl)(5-benzyl-1,5-diazocan-1-yl)methanone
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| Structure |
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| Formula |
C20H23Cl2N3O
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| Molecular Weight |
392.33
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| Canonical SMILES |
Nc1c(Cl)cc(cc1Cl)C(=O)N1CCCN(Cc2ccccc2)CCC1
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| InChI |
InChI=1S/C20H23Cl2N3O/c21-17-12-16(13-18(22)19(17)23)20(26)25-10-4-8-24(9-5-11-25)14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14,23H2
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| InChIKey |
KBTSJKVYWPZTCV-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