General Information of the Compound
| Compound ID |
CP0397883
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| Compound Name |
1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]-N-(3-hydroxypropyl)pyrrole-2-carboxamide
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| Structure |
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| Formula |
C29H42N2O3
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| Molecular Weight |
466.666
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)NCCCO
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| InChI |
InChI=1S/C29H42N2O3/c1-7-28(34,8-2)18-17-23-13-14-24(21-22(23)6)29(9-3,10-4)26-16-15-25(31(26)11-5)27(33)30-19-12-20-32/h13-16,21,32,34H,7-12,19-20H2,1-6H3,(H,30,33)
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| InChIKey |
QYUUWAFGTLPTCK-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