General Information of the Compound
| Compound ID |
CP0901622
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| Compound Name |
benzyl N-[4-[[(1R)-2-[(2S)-2-[4-[4-[4-(butanoylamino)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 |
C43H46N6O5
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| Molecular Weight |
726.878
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| Canonical SMILES |
CCCC(=O)Nc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@H](NC(=O)CCCNC(=O)OCc4ccccc4)c4ccccc4)n3)cc2)cc1
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| InChI |
InChI=1S/C43H46N6O5/c1-2-11-38(50)46-35-24-22-32(23-25-35)31-18-20-33(21-19-31)36-28-45-41(47-36)37-16-10-27-49(37)42(52)40(34-14-7-4-8-15-34)48-39(51)17-9-26-44-43(53)54-29-30-12-5-3-6-13-30/h3-8,12-15,18-25,28,37,40H,2,9-11,16-17,26-27,29H2,1H3,(H,44,53)(H,45,47)(H,46,50)(H,48,51)/t37-,40+/m0/s1
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| InChIKey |
LOHFZNKALOTZPK-OMBCEYFDSA-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