General Information of the Compound
| Compound ID |
CP0397882
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| Compound Name |
2-[[1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]amino]acetic acid
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| Structure |
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| Formula |
C28H38N2O4
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| Molecular Weight |
466.622
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)NCC(O)=O
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| InChI |
InChI=1S/C28H38N2O4/c1-7-27(34,8-2)17-16-21-12-13-22(18-20(21)6)28(9-3,10-4)24-15-14-23(30(24)11-5)26(33)29-19-25(31)32/h12-15,18,34H,7-11,19H2,1-6H3,(H,29,33)(H,31,32)
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| InChIKey |
NWKNLBFKJNNSPQ-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