General Information of the Compound
| Compound ID |
CP0480002
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| Compound Name |
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C21H25Cl2N3O4
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| Molecular Weight |
454.354
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| Canonical SMILES |
OC1=C(CN(CCCN2CCCC2=O)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H25Cl2N3O4/c22-16-7-6-14(12-17(16)23)4-1-8-24-20(29)15-13-26(21(30)19(15)28)11-3-10-25-9-2-5-18(25)27/h6-7,12,28H,1-5,8-11,13H2,(H,24,29)
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| InChIKey |
IICLWSIXDCLQED-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