General Information of the Compound
| Compound ID |
CP0468751
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| Compound Name |
1-O-ethyl 4-O-methyl 2-[[1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]amino]butanedioate
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| Structure |
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| Formula |
C33H50N2O7
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| Molecular Weight |
586.77
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| Canonical SMILES |
CCOC(=O)C(CC(=O)OC)NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1
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| InChI |
InChI=1S/C33H50N2O7/c1-9-32(39,10-2)19-20-42-27-17-15-24(21-23(27)7)33(11-3,12-4)28-18-16-26(35(28)13-5)30(37)34-25(22-29(36)40-8)31(38)41-14-6/h15-18,21,25,39H,9-14,19-20,22H2,1-8H3,(H,34,37)
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| InChIKey |
ICAHBSUSFNIDOJ-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