General Information of the Compound
| Compound ID |
CP0565426
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| Compound Name |
4-[(N-Cyclohexyl-3,5-dimethyl-piperidine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
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| Structure |
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| Formula |
C29H38Cl2N4O
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| Molecular Weight |
529.556
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| Canonical SMILES |
CC1CC(C)CN(C1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
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| InChI |
InChI=1S/C29H38Cl2N4O/c1-20-16-21(2)19-35(18-20)29(33-25-6-4-3-5-7-25)34-26-12-9-23(10-13-26)28(36)32-15-14-22-8-11-24(30)17-27(22)31/h8-13,17,20-21,25H,3-7,14-16,18-19H2,1-2H3,(H,32,36)(H,33,34)
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| InChIKey |
KJEZEPFDJTUCDN-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