General Information of the Compound
| Compound ID |
CP0497897
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| Compound Name |
1-[1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]pyrrol-2-yl]pentan-1-one
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| Structure |
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| Formula |
C30H43NO2
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| Molecular Weight |
449.679
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| Canonical SMILES |
CCCCC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1
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| InChI |
InChI=1S/C30H43NO2/c1-8-14-15-27(32)26-18-19-28(31(26)13-6)30(11-4,12-5)25-17-16-24(23(7)22-25)20-21-29(33,9-2)10-3/h16-19,22,33H,8-15H2,1-7H3
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| InChIKey |
XSJYMIQOODDHSU-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