General Information of the Compound
| Compound ID |
CP0448068
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| Compound Name |
2-[(R)-1-[(S)-2-(3-Benzyl-ureido)-4-methyl-pentanoylamino]-2-(1H-indol-3-yl)-ethyl]-5-methyl-1H-imidazole-4-carboxylic acid
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| Structure |
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| Formula |
C29H34N6O4
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| Molecular Weight |
530.629
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
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| InChI |
InChI=1S/C29H34N6O4/c1-17(2)13-24(34-29(39)31-15-19-9-5-4-6-10-19)27(36)33-23(26-32-18(3)25(35-26)28(37)38)14-20-16-30-22-12-8-7-11-21(20)22/h4-12,16-17,23-24,30H,13-15H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)(H2,31,34,39)/t23-,24+/m1/s1
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| InChIKey |
YFDMMJVKZAFGBS-RPWUZVMVSA-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