General Information of the Compound
| Compound ID |
CP0725657
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| Compound Name |
(2S)-methyl 2-amino-5-((3R)-3-(1-(3'-ethyl-6-fluorobiphenyl-2-yl)-1-hydroxy-4-(methoxycarbonylamino)butyl)piperidin-1-yl)-5-oxopentanoate
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| Structure |
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| Formula |
C31H42FN3O6
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| Molecular Weight |
571.69
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| Canonical SMILES |
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC[C@H](N)C(=O)OC)C2)c1
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| InChI |
InChI=1S/C31H42FN3O6/c1-4-21-9-5-10-22(19-21)28-24(12-6-13-25(28)32)31(39,16-8-17-34-30(38)41-3)23-11-7-18-35(20-23)27(36)15-14-26(33)29(37)40-2/h5-6,9-10,12-13,19,23,26,39H,4,7-8,11,14-18,20,33H2,1-3H3,(H,34,38)/t23-,26+,31?/m1/s1
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| InChIKey |
UWTPQSLKZKEZLQ-ZQMDHAFISA-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