General Information of the Compound
| Compound ID |
CP0545214
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| Compound Name |
N-[2-[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-4-[[1-(2-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C44H56ClN7O7
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| Molecular Weight |
830.427
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(cc2Cl)C#N)cc1
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| InChI |
InChI=1S/C44H56ClN7O7/c1-29(2)24-39(50-44(56)41(53)38(47)27-32-8-6-5-7-9-32)43(55)49-17-19-58-21-23-59-22-20-57-18-16-48-42(54)35-13-10-33(11-14-35)25-36-30(3)51-52(31(36)4)40-15-12-34(28-46)26-37(40)45/h5-15,26,29,38-39,41,53H,16-25,27,47H2,1-4H3,(H,48,54)(H,49,55)(H,50,56)/t38-,39+,41+/m1/s1
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| InChIKey |
ITBLIPSXEWWMSK-QAOPUTECSA-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