General Information of the Compound
| Compound ID |
CP0553159
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| Compound Name |
1-butyl-4-[3-(5-chloro-6-hydroxynaphthalen-2-yl)propanoylamino]-5-oxo-2H-pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C22H23ClN2O5
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| Molecular Weight |
430.888
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| Canonical SMILES |
CCCCN1CC(C(O)=O)=C(NC(=O)CCc2ccc3c(Cl)c(O)ccc3c2)C1=O
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| InChI |
InChI=1S/C22H23ClN2O5/c1-2-3-10-25-12-16(22(29)30)20(21(25)28)24-18(27)9-5-13-4-7-15-14(11-13)6-8-17(26)19(15)23/h4,6-8,11,26H,2-3,5,9-10,12H2,1H3,(H,24,27)(H,29,30)
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| InChIKey |
FKUOGFZBLYAXKM-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