General Information of the Compound
| Compound ID |
CP0457151
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| Compound Name |
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-5-oxo-4-(2-pyridin-4-ylethylamino)-2H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C23H26Cl2N4O2
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| Molecular Weight |
461.393
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| Canonical SMILES |
CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NCCc2ccncc2)C1=O
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| InChI |
InChI=1S/C23H26Cl2N4O2/c1-2-29-15-18(21(23(29)31)27-13-9-16-7-11-26-12-8-16)22(30)28-10-3-4-17-5-6-19(24)20(25)14-17/h5-8,11-12,14,27H,2-4,9-10,13,15H2,1H3,(H,28,30)
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| InChIKey |
HOZYXSHPBXUCQW-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