General Information of the Compound
| Compound ID |
CP0566080
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| Compound Name |
N-(1,4-dihydroxybutan-2-yl)-1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C30H48N2O5
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| Molecular Weight |
516.723
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NC(CO)CCO
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| InChI |
InChI=1S/C30H48N2O5/c1-7-29(36,8-2)17-19-37-26-14-12-23(20-22(26)6)30(9-3,10-4)27-15-13-25(32(27)11-5)28(35)31-24(21-34)16-18-33/h12-15,20,24,33-34,36H,7-11,16-19,21H2,1-6H3,(H,31,35)
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| InChIKey |
USVMNELRFSZQHI-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