General Information of the Compound
| Compound ID |
CP0417102
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| Compound Name |
3-[[1-ethyl-4-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C29H40N2O4
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| Molecular Weight |
480.649
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| Canonical SMILES |
CCn1cc(cc1C(=O)NCCC(O)=O)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1
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| InChI |
InChI=1S/C29H40N2O4/c1-7-28(35,8-2)16-14-22-12-13-23(18-21(22)6)29(9-3,10-4)24-19-25(31(11-5)20-24)27(34)30-17-15-26(32)33/h12-13,18-20,35H,7-11,15,17H2,1-6H3,(H,30,34)(H,32,33)
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| InChIKey |
NSHFORRNSDBYPI-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