General Information of the Compound
| Compound ID |
CP0526738
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| Compound Name |
(2S)-2-[[5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-methylpyrrole-2-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C27H38N2O5
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| Molecular Weight |
470.61
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| Canonical SMILES |
CCC(CC)(c1ccc(C(=O)N[C@@H](C)C(O)=O)n1C)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C27H38N2O5/c1-9-27(10-2,22-14-12-20(29(22)8)24(31)28-18(4)25(32)33)19-11-13-21(17(3)15-19)34-16-23(30)26(5,6)7/h11-15,18H,9-10,16H2,1-8H3,(H,28,31)(H,32,33)/t18-/m0/s1
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| InChIKey |
HMVSNXMCXNWWGA-SFHVURJKSA-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