General Information of the Compound
| Compound ID |
CP0571603
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| Compound Name |
1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C29H46N2O4
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| Molecular Weight |
486.697
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)N(C)CCO
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| InChI |
InChI=1S/C29H46N2O4/c1-8-28(34,9-2)17-20-35-25-15-13-23(21-22(25)6)29(10-3,11-4)26-16-14-24(31(26)12-5)27(33)30(7)18-19-32/h13-16,21,32,34H,8-12,17-20H2,1-7H3
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| InChIKey |
ZANFCPPJUXLETC-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