General Information of the Compound
| Compound ID |
CP0494627
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| Compound Name |
4-[N''-Cyclohexyl-N''''-(3,5-difluoro-benzyl)-guanidino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
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| Structure |
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| Formula |
C29H30Cl2F2N4O
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| Molecular Weight |
559.488
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| Canonical SMILES |
Fc1cc(F)cc(CNC(Nc2ccc(cc2)C(=O)NCCc2ccc(Cl)cc2Cl)=NC2CCCCC2)c1
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| InChI |
InChI=1S/C29H30Cl2F2N4O/c30-22-9-6-20(27(31)16-22)12-13-34-28(38)21-7-10-26(11-8-21)37-29(36-25-4-2-1-3-5-25)35-18-19-14-23(32)17-24(33)15-19/h6-11,14-17,25H,1-5,12-13,18H2,(H,34,38)(H2,35,36,37)
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| InChIKey |
NCVUUCYJZPFVEV-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