General Information of the Compound
| Compound ID |
CP0511375
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| Compound Name |
5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-4-methyl-2-[3-(4-methyl-cyclohexyl)-ureido]-pentanoylamino}-ethyl)-oxazole-4-carboxylic acid
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| Structure |
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| Formula |
C30H41N5O5
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| Molecular Weight |
551.688
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)NC1CCC(C)CC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C30H41N5O5/c1-17(2)14-23(33-30(39)31-21-12-10-18(3)11-13-21)27(36)32-24(28-34-26(29(37)38)19(4)40-28)15-20-16-35(5)25-9-7-6-8-22(20)25/h6-9,16-18,21,23-24H,10-15H2,1-5H3,(H,32,36)(H,37,38)(H2,31,33,39)/t18?,21?,23-,24+/m0/s1
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| InChIKey |
CUXQJQJNEAEYGC-NWOKVLSISA-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