General Information of the Compound
| Compound ID |
CP0938046
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| Compound Name |
benzyl N-[4-[[(1R)-2-[(2S)-2-[4-[4-[4-[[4-(methoxymethyl)benzoyl]amino]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]amino]-4-oxo-butyl]carbamate
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| Structure |
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| Formula |
C48H48N6O6
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| Molecular Weight |
804.948
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| Canonical SMILES |
COCc1ccc(C(=O)Nc2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](NC(=O)CCCNC(=O)OCc5ccccc5)c5ccccc5)n4)cc3)cc2)cc1
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| InChI |
InChI=1S/C48H48N6O6/c1-59-31-34-16-18-39(19-17-34)46(56)51-40-26-24-36(25-27-40)35-20-22-37(23-21-35)41-30-50-45(52-41)42-14-9-29-54(42)47(57)44(38-12-6-3-7-13-38)53-43(55)15-8-28-49-48(58)60-32-33-10-4-2-5-11-33/h2-7,10-13,16-27,30,42,44H,8-9,14-15,28-29,31-32H2,1H3,(H,49,58)(H,50,52)(H,51,56)(H,53,55)/t42-,44+/m0/s1
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| InChIKey |
MKORHWCPIKPAPR-KOHORPAVSA-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