General Information of the Compound
| Compound ID |
CP0466989
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| Compound Name |
4-[(N-Cyclohexyl-4-methyl-piperazine-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 |
CN1CCN(CC1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
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| InChI |
InChI=1S/C27H35Cl2N5O/c1-33-15-17-34(18-16-33)27(31-23-5-3-2-4-6-23)32-24-11-8-21(9-12-24)26(35)30-14-13-20-7-10-22(28)19-25(20)29/h7-12,19,23H,2-6,13-18H2,1H3,(H,30,35)(H,31,32)
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| InChIKey |
ZKHGXKXTZSVJCE-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