General Information of the Compound
| Compound ID |
CP0415222
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| Compound Name |
5-(4-(1-hydroxypropyl)phenyl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C15H16N2O
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| Molecular Weight |
240.306
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| Canonical SMILES |
CCC(O)c1ccc(cc1)-c1ccc(C#N)n1C
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| InChI |
InChI=1S/C15H16N2O/c1-3-15(18)12-6-4-11(5-7-12)14-9-8-13(10-16)17(14)2/h4-9,15,18H,3H2,1-2H3
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| InChIKey |
NNRGZBIPZOXVLB-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