General Information of the Compound
| Compound ID |
CP0412570
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| Compound Name |
N-[3-[7-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propyl]-N-methyl-2-phenylacetamide
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| Structure |
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| Formula |
C27H26Cl2N4O2
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| Molecular Weight |
509.437
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| Canonical SMILES |
CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C27H26Cl2N4O2/c1-31(25(35)17-19-7-3-2-4-8-19)15-6-16-32-26-22(29)9-5-10-23(26)33(27(32)30)18-24(34)20-11-13-21(28)14-12-20/h2-5,7-14,30H,6,15-18H2,1H3
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| InChIKey |
VDCBVWYXKRWDEB-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
Protein ID: PT03433, C-X-C chemokine receptor type 3
Protein ID: PT05171, C-X-C chemokine receptor type 3