General Information of the Compound
| Compound ID |
CP0436816
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| Compound Name |
5-Methyl-2-{(R)-2-(1-methyl-1H-indol-3-yl)-1-[(S)-4-methyl-2-(3-phenyl-ureido)-pentanoylamino]-ethyl}-oxazole-4-carboxylic acid
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| Structure |
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| Formula |
C29H33N5O5
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| Molecular Weight |
531.613
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C29H33N5O5/c1-17(2)14-22(32-29(38)30-20-10-6-5-7-11-20)26(35)31-23(27-33-25(28(36)37)18(3)39-27)15-19-16-34(4)24-13-9-8-12-21(19)24/h5-13,16-17,22-23H,14-15H2,1-4H3,(H,31,35)(H,36,37)(H2,30,32,38)/t22-,23+/m0/s1
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| InChIKey |
YMRUHNQVVUOZLT-XZOQPEGZSA-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