General Information of the Compound
| Compound ID |
CP0454058
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| Compound Name |
ethyl 3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propanoate
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| Structure |
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| Formula |
C20H20ClN3O3
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| Molecular Weight |
385.851
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| Canonical SMILES |
CCOC(=O)CCn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
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| InChI |
InChI=1S/C20H20ClN3O3/c1-2-27-19(26)11-12-23-16-5-3-4-6-17(16)24(20(23)22)13-18(25)14-7-9-15(21)10-8-14/h3-10,22H,2,11-13H2,1H3
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| InChIKey |
BLKSDTGJDRGAEP-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