General Information of the Compound
| Compound ID |
CP0456639
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| Compound Name |
5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-4-methyl-2-[3-(2-methyl-cyclohexyl)-ureido]-pentanoylamino}-ethyl)-1H-imidazole-4-carboxylic acid
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| Structure |
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| Formula |
C30H42N6O4
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| Molecular Weight |
550.704
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)NC1CCCCC1C)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
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| InChI |
InChI=1S/C30H42N6O4/c1-17(2)14-24(34-30(40)33-22-12-8-6-10-18(22)3)28(37)32-23(27-31-19(4)26(35-27)29(38)39)15-20-16-36(5)25-13-9-7-11-21(20)25/h7,9,11,13,16-18,22-24H,6,8,10,12,14-15H2,1-5H3,(H,31,35)(H,32,37)(H,38,39)(H2,33,34,40)/t18?,22?,23-,24+/m1/s1
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| InChIKey |
BWWBBAYBFCKZRO-KJMRNSNESA-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