General Information of the Compound
| Compound ID |
CP0868992
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| Compound Name |
benzyl N-[4-[[(1R)-2-[(2S)-2-[4-[4-[4-[(4-methoxypiperidine-1-carbonyl)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 |
C46H51N7O6
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| Molecular Weight |
797.957
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| Canonical SMILES |
COC1CCN(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/C46H51N7O6/c1-58-38-24-28-52(29-25-38)45(56)49-37-22-20-34(21-23-37)33-16-18-35(19-17-33)39-30-48-43(50-39)40-14-9-27-53(40)44(55)42(36-12-6-3-7-13-36)51-41(54)15-8-26-47-46(57)59-31-32-10-4-2-5-11-32/h2-7,10-13,16-23,30,38,40,42H,8-9,14-15,24-29,31H2,1H3,(H,47,57)(H,48,50)(H,49,56)(H,51,54)/t40-,42+/m0/s1
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| InChIKey |
ZBTOMIXUSBVYGE-DUAROTRBSA-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