General Information of the Compound
| Compound ID |
CP0237997
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| Compound Name |
(2S,3R)-3-(benzyloxy)-2-(3-(3-mesitylureido)-2-naphthamido)-5-methylhexanoic acid
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| Structure |
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| Formula |
C35H39N3O5
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| Molecular Weight |
581.713
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| Canonical SMILES |
CC(C)C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
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| InChI |
InChI=1S/C35H39N3O5/c1-21(2)15-30(43-20-25-11-7-6-8-12-25)32(34(40)41)37-33(39)28-18-26-13-9-10-14-27(26)19-29(28)36-35(42)38-31-23(4)16-22(3)17-24(31)5/h6-14,16-19,21,30,32H,15,20H2,1-5H3,(H,37,39)(H,40,41)(H2,36,38,42)/t30-,32+/m1/s1
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| InChIKey |
QJRLNLGIDHDESH-BHYZAODMSA-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