General Information of the Compound
| Compound ID |
CP0542895
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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-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C45H56F3N7O7
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| Molecular Weight |
863.979
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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(C#N)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C45H56F3N7O7/c1-29(2)24-40(53-44(59)41(56)39(50)26-32-8-6-5-7-9-32)43(58)52-17-19-61-21-23-62-22-20-60-18-16-51-42(57)34-12-10-33(11-13-34)25-37-30(3)54-55(31(37)4)36-15-14-35(28-49)38(27-36)45(46,47)48/h5-15,27,29,39-41,56H,16-26,50H2,1-4H3,(H,51,57)(H,52,58)(H,53,59)/t39-,40+,41+/m1/s1
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| InChIKey |
ZTVZRLVVINGLIZ-AEKUSUEZSA-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