General Information of the Compound
| Compound ID |
CP0422593
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| Compound Name |
N-[3-[7-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propyl]-N-cyclopropylquinoline-8-carboxamide
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| Structure |
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| Formula |
C31H27Cl2N5O2
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| Molecular Weight |
572.496
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CCCN(C2CC2)C(=O)c2cccc3cccnc23)c1=N
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| InChI |
InChI=1S/C31H27Cl2N5O2/c32-22-12-10-20(11-13-22)27(39)19-38-26-9-2-8-25(33)29(26)37(31(38)34)18-4-17-36(23-14-15-23)30(40)24-7-1-5-21-6-3-16-35-28(21)24/h1-3,5-13,16,23,34H,4,14-15,17-19H2
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| InChIKey |
UCPBQJPEROOMRS-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