General Information of the Compound
| Compound ID |
CP0867226
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| Compound Name |
methyl N-[(3R)-1-[[(1R)-2-[(2S)-2-[4-[4-[4-(butanoylamino)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamoyl]pyrrolidin-3-yl]carbamate
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| Structure |
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| Formula |
C38H43N7O5
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| Molecular Weight |
677.806
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| Canonical SMILES |
CCCC(=O)Nc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@H](NC(=O)N4CC[C@@H](NC(=O)OC)C4)c4ccccc4)n3)cc2)cc1
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| InChI |
InChI=1S/C38H43N7O5/c1-3-8-33(46)40-29-18-16-26(17-19-29)25-12-14-27(15-13-25)31-23-39-35(42-31)32-11-7-21-45(32)36(47)34(28-9-5-4-6-10-28)43-37(48)44-22-20-30(24-44)41-38(49)50-2/h4-6,9-10,12-19,23,30,32,34H,3,7-8,11,20-22,24H2,1-2H3,(H,39,42)(H,40,46)(H,41,49)(H,43,48)/t30-,32+,34-/m1/s1
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| InChIKey |
ALCPNYAJBBAPME-BBLOSTOYSA-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