General Information of the Compound
| Compound ID |
CP0430022
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| Compound Name |
4-[(4-Amino-N-cyclohexyl-piperidine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
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| Structure |
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| Formula |
C27H35Cl2N5O
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| Molecular Weight |
516.517
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| Canonical SMILES |
NC1CCN(CC1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
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| InChI |
InChI=1S/C27H35Cl2N5O/c28-21-9-6-19(25(29)18-21)12-15-31-26(35)20-7-10-24(11-8-20)33-27(32-23-4-2-1-3-5-23)34-16-13-22(30)14-17-34/h6-11,18,22-23H,1-5,12-17,30H2,(H,31,35)(H,32,33)
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| InChIKey |
BVEADRMJYJGDGL-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