General Information of the Compound
| Compound ID |
CP0403560
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| Compound Name |
methyl (2S,3R)-2-[[1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]amino]-3-methylpentanoate
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| Structure |
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| Formula |
C32H50N2O5
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| Molecular Weight |
542.761
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| Canonical SMILES |
CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OC
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| InChI |
InChI=1S/C32H50N2O5/c1-11-21(5)28(30(37)38-10)33-29(36)24-16-18-26(34(24)14-4)32(12-2,13-3)23-15-17-25(22(6)19-23)39-20-27(35)31(7,8)9/h15-19,21,27-28,35H,11-14,20H2,1-10H3,(H,33,36)/t21-,27?,28+/m1/s1
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| InChIKey |
UVOMHWURJJDCFE-IOONVTFDSA-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