General Information of the Compound
| Compound ID |
CP0517444
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| Compound Name |
methyl 2-[[5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-ethylpyrrole-2-carbonyl]amino]acetate
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| Structure |
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| Formula |
C28H40N2O5
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| Molecular Weight |
484.637
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCC(=O)OC
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| InChI |
InChI=1S/C28H40N2O5/c1-9-28(10-2,20-12-14-22(19(4)16-20)35-18-24(31)27(5,6)7)23-15-13-21(30(23)11-3)26(33)29-17-25(32)34-8/h12-16H,9-11,17-18H2,1-8H3,(H,29,33)
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| InChIKey |
QOCBZTBLZFXNER-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