General Information of the Compound
| Compound ID |
CP0453434
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| Compound Name |
2-[(R)-1-[(S)-2-(3-Cyclopentyl-ureido)-4-methyl-pentanoylamino]-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-1H-imidazole-4-carboxylic acid
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| Structure |
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| Formula |
C28H38N6O4
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| Molecular Weight |
522.65
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)NC1CCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
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| InChI |
InChI=1S/C28H38N6O4/c1-16(2)13-22(32-28(38)30-19-9-5-6-10-19)26(35)31-21(25-29-17(3)24(33-25)27(36)37)14-18-15-34(4)23-12-8-7-11-20(18)23/h7-8,11-12,15-16,19,21-22H,5-6,9-10,13-14H2,1-4H3,(H,29,33)(H,31,35)(H,36,37)(H2,30,32,38)/t21-,22+/m1/s1
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| InChIKey |
UIMLESSCURGKEU-YADHBBJMSA-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