General Information of the Compound
| Compound ID |
CP0506580
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| Compound Name |
4-{[N-Cyclohexyl-4-(2,5-dimethyl-phenyl)-piperazine-1-carboximidoyl]-amino}-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
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| Structure |
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| Formula |
C34H41Cl2N5O
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| Molecular Weight |
606.642
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| Canonical SMILES |
Cc1ccc(C)c(c1)N1CCN(CC1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
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| InChI |
InChI=1S/C34H41Cl2N5O/c1-24-8-9-25(2)32(22-24)40-18-20-41(21-19-40)34(38-29-6-4-3-5-7-29)39-30-14-11-27(12-15-30)33(42)37-17-16-26-10-13-28(35)23-31(26)36/h8-15,22-23,29H,3-7,16-21H2,1-2H3,(H,37,42)(H,38,39)
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| InChIKey |
SXXCKGCDPLMUHQ-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