General Information of the Compound
| Compound ID |
CP0520337
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| Compound Name |
2-[(R)-1-[(S)-2-(3-Cyclohexyl-ureido)-4-methyl-pentanoylamino]-2-(1-ethyl-1H-indol-3-yl)-ethyl]-5-methyl-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 |
CCn1cc(C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCCC2)c2nc(C(O)=O)c(C)[nH]2)c2ccccc12
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| InChI |
InChI=1S/C30H42N6O4/c1-5-36-17-20(22-13-9-10-14-25(22)36)16-23(27-31-19(4)26(35-27)29(38)39)33-28(37)24(15-18(2)3)34-30(40)32-21-11-7-6-8-12-21/h9-10,13-14,17-18,21,23-24H,5-8,11-12,15-16H2,1-4H3,(H,31,35)(H,33,37)(H,38,39)(H2,32,34,40)/t23-,24+/m1/s1
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| InChIKey |
QBIDYURNSVUVBH-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