General Information of the Compound
| Compound ID |
CP0481553
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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]butanedioic acid
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| Structure |
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| Formula |
C28H38N2O7
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| Molecular Weight |
514.619
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| Canonical SMILES |
CCC(CC)(c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)n1C)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C28H38N2O7/c1-8-28(9-2,18-10-12-21(17(3)14-18)37-16-23(31)27(4,5)6)22-13-11-20(30(22)7)25(34)29-19(26(35)36)15-24(32)33/h10-14,19H,8-9,15-16H2,1-7H3,(H,29,34)(H,32,33)(H,35,36)/t19-/m0/s1
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| InChIKey |
BLMYLSYQAWKDES-IBGZPJMESA-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