General Information of the Compound
| Compound ID |
CP0052754
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| Compound Name |
4-[(N-Cyclohexyl-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
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| Structure |
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| Formula |
C26H33Cl2N5O
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| Molecular Weight |
502.49
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| Canonical SMILES |
Clc1ccc(CCNC(=O)c2ccc(NC(=NC3CCCCC3)N3CCNCC3)cc2)c(Cl)c1
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| InChI |
InChI=1S/C26H33Cl2N5O/c27-21-9-6-19(24(28)18-21)12-13-30-25(34)20-7-10-23(11-8-20)32-26(33-16-14-29-15-17-33)31-22-4-2-1-3-5-22/h6-11,18,22,29H,1-5,12-17H2,(H,30,34)(H,31,32)
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| InChIKey |
YEXGHTGVNJDCFJ-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