General Information of the Compound
| Compound ID |
CP0509096
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| Compound Name |
5-Methyl-2-{(R)-2-(1-methyl-1H-indol-3-yl)-1-[(S)-4-methyl-2-(3-pentafluorophenyl-ureido)-pentanoylamino]-ethyl}-oxazole-4-carboxylic acid
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| Structure |
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| Formula |
C29H28F5N5O5
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| Molecular Weight |
621.563
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C29H28F5N5O5/c1-12(2)9-16(36-29(43)38-25-22(33)20(31)19(30)21(32)23(25)34)26(40)35-17(27-37-24(28(41)42)13(3)44-27)10-14-11-39(4)18-8-6-5-7-15(14)18/h5-8,11-12,16-17H,9-10H2,1-4H3,(H,35,40)(H,41,42)(H2,36,38,43)/t16-,17+/m0/s1
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| InChIKey |
ZRIPMTVWOKRYSJ-DLBZAZTESA-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