General Information of the Compound
| Compound ID |
CP0509848
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| Compound Name |
4-[(N-Cyclohexyl-2-methyl-3-oxo-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
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| Structure |
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| Formula |
C27H33Cl2N5O2
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| Molecular Weight |
530.5
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| Canonical SMILES |
CC1N(CCNC1=O)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
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| InChI |
InChI=1S/C27H33Cl2N5O2/c1-18-25(35)31-15-16-34(18)27(32-22-5-3-2-4-6-22)33-23-11-8-20(9-12-23)26(36)30-14-13-19-7-10-21(28)17-24(19)29/h7-12,17-18,22H,2-6,13-16H2,1H3,(H,30,36)(H,31,35)(H,32,33)
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| InChIKey |
NYPNUAIQIYFFLN-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