General Information of the Compound
| Compound ID |
CP0394832
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| Compound Name |
N-[3-[7-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propyl]-2-methoxy-N-methylbenzamide
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| Structure |
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| Formula |
C27H26Cl2N4O3
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| Molecular Weight |
525.436
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| Canonical SMILES |
COc1ccccc1C(=O)N(C)CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
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| InChI |
InChI=1S/C27H26Cl2N4O3/c1-31(26(35)20-7-3-4-10-24(20)36-2)15-6-16-32-25-21(29)8-5-9-22(25)33(27(32)30)17-23(34)18-11-13-19(28)14-12-18/h3-5,7-14,30H,6,15-17H2,1-2H3
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| InChIKey |
QLAFVIBLIVMHSP-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