General Information of the Compound
| Compound ID |
CP0403637
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| Compound Name |
1-butyl-4-[3-(5-chloro-6-hydroxynaphthalen-2-yl)propanoylamino]pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C22H23ClN2O4
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| Molecular Weight |
414.889
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| Canonical SMILES |
CCCCn1cc(NC(=O)CCc2ccc3c(Cl)c(O)ccc3c2)c(c1)C(O)=O
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| InChI |
InChI=1S/C22H23ClN2O4/c1-2-3-10-25-12-17(22(28)29)18(13-25)24-20(27)9-5-14-4-7-16-15(11-14)6-8-19(26)21(16)23/h4,6-8,11-13,26H,2-3,5,9-10H2,1H3,(H,24,27)(H,28,29)
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| InChIKey |
JPNXBDMYUVLOHO-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