General Information of the Compound
| Compound ID |
CP0535408
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| Compound Name |
2-[(R)-1-{(S)-2-[3-(4-Hydroxy-cyclohexyl)-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 |
C29H40N6O5
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| Molecular Weight |
552.676
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)NC1CCC(O)CC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
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| InChI |
InChI=1S/C29H40N6O5/c1-16(2)13-23(33-29(40)31-19-9-11-20(36)12-10-19)27(37)32-22(26-30-17(3)25(34-26)28(38)39)14-18-15-35(4)24-8-6-5-7-21(18)24/h5-8,15-16,19-20,22-23,36H,9-14H2,1-4H3,(H,30,34)(H,32,37)(H,38,39)(H2,31,33,40)/t19?,20?,22-,23+/m1/s1
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| InChIKey |
OIRFLUFRRLMDFN-PHFCHIBXSA-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