General Information of the Compound
| Compound ID |
CP0547293
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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-[[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]methyl]benzamide
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| Structure |
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| Formula |
C46H57N7O7
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| Molecular Weight |
820.004
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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(Cn2c(C)c(C#N)c(c2C)-c2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C46H57N7O7/c1-31(2)26-41(52-46(57)43(54)40(49)27-34-8-6-5-7-9-34)45(56)51-19-21-59-23-25-60-24-22-58-20-18-50-44(55)38-16-12-36(13-17-38)30-53-32(3)39(29-48)42(33(53)4)37-14-10-35(28-47)11-15-37/h5-17,31,40-41,43,54H,18-27,30,49H2,1-4H3,(H,50,55)(H,51,56)(H,52,57)/t40-,41+,43+/m1/s1
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| InChIKey |
NHMJRWPSMORJLM-JWZYOJHJSA-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