General Information of the Compound
| Compound ID |
CP0458844
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| Compound Name |
5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-4-methyl-2-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-ureido]-pentanoylamino}-ethyl)-oxazole-4-carboxylic acid
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| Structure |
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| Formula |
C33H39N5O5
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| Molecular Weight |
585.705
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)NC1CCCc2ccccc12)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C33H39N5O5/c1-19(2)16-26(36-33(42)35-25-14-9-11-21-10-5-6-12-23(21)25)30(39)34-27(31-37-29(32(40)41)20(3)43-31)17-22-18-38(4)28-15-8-7-13-24(22)28/h5-8,10,12-13,15,18-19,25-27H,9,11,14,16-17H2,1-4H3,(H,34,39)(H,40,41)(H2,35,36,42)/t25?,26-,27+/m0/s1
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| InChIKey |
LMXDEICEQNKLIC-GDRMZMBQSA-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