General Information of the Compound
| Compound ID |
CP0573505
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| Compound Name |
[4-(2-hydroxyethyl)phenyl] 1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxylate
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| Structure |
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| Formula |
C33H45NO5
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| Molecular Weight |
535.725
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)Oc1ccc(CCO)cc1
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| InChI |
InChI=1S/C33H45NO5/c1-8-33(9-2,25-13-17-28(23(4)21-25)38-22-30(36)32(5,6)7)29-18-16-27(34(29)10-3)31(37)39-26-14-11-24(12-15-26)19-20-35/h11-18,21,30,35-36H,8-10,19-20,22H2,1-7H3
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| InChIKey |
XRPXMZSVMIJCHA-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