General Information of the Compound
| Compound ID |
CP0541269
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| Compound Name |
benzyl (2S)-2-amino-5-[(3R)-3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxy-4-(methoxycarbonylamino)butyl]piperidin-1-yl]-5-oxopentanoate
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| Structure |
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| Formula |
C37H46FN3O6
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| Molecular Weight |
647.788
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| Canonical SMILES |
CCc1cccc(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)CC[C@H](N)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C37H46FN3O6/c1-3-26-13-7-14-28(23-26)34-30(16-8-17-31(34)38)37(45,20-10-21-40-36(44)46-2)29-15-9-22-41(24-29)33(42)19-18-32(39)35(43)47-25-27-11-5-4-6-12-27/h4-8,11-14,16-17,23,29,32,45H,3,9-10,15,18-22,24-25,39H2,1-2H3,(H,40,44)/t29-,32+,37?/m1/s1
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| InChIKey |
COOPGZYSULILTI-QQAOMCSCSA-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