General Information of the Compound
| Compound ID |
CP0403565
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| Compound Name |
pyridin-2-ylmethyl 5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-ethylpyrrole-2-carboxylate
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| Structure |
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| Formula |
C31H40N2O4
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| Molecular Weight |
504.671
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OCc1ccccn1
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| InChI |
InChI=1S/C31H40N2O4/c1-8-31(9-2,23-14-16-26(22(4)19-23)36-21-28(34)30(5,6)7)27-17-15-25(33(27)10-3)29(35)37-20-24-13-11-12-18-32-24/h11-19H,8-10,20-21H2,1-7H3
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| InChIKey |
SYRMFJYAABGDRA-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