General Information of the Compound
| Compound ID |
CP0540536
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| Compound Name |
1-[3-(5-chloro-6-hydroxynaphthalen-2-yl)propanoylamino]pyrrole-2-carboxylic acid
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| Structure |
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| Formula |
C18H15ClN2O4
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| Molecular Weight |
358.781
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| Canonical SMILES |
OC(=O)c1cccn1NC(=O)CCc1ccc2c(Cl)c(O)ccc2c1
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| InChI |
InChI=1S/C18H15ClN2O4/c19-17-13-6-3-11(10-12(13)5-7-15(17)22)4-8-16(23)20-21-9-1-2-14(21)18(24)25/h1-3,5-7,9-10,22H,4,8H2,(H,20,23)(H,24,25)
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| InChIKey |
ASWHESLQLRNJJY-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