General Information of the Compound
| Compound ID |
CP0524563
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| Compound Name |
2-[(R)-1-[(S)-2-(3,3-Diethyl-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 |
C26H36N6O4
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| Molecular Weight |
496.612
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| Canonical SMILES |
CCN(CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
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| InChI |
InChI=1S/C26H36N6O4/c1-6-32(7-2)26(36)30-21(12-15(3)4)24(33)29-20(23-28-16(5)22(31-23)25(34)35)13-17-14-27-19-11-9-8-10-18(17)19/h8-11,14-15,20-21,27H,6-7,12-13H2,1-5H3,(H,28,31)(H,29,33)(H,30,36)(H,34,35)/t20-,21+/m1/s1
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| InChIKey |
ZNUAJMJDLWCJRT-RTWAWAEBSA-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