General Information of the Compound
| Compound ID |
CP0487887
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| Compound Name |
(S)-2-((4R,5R)-5-(biphenyl-2-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(picolinamido)phenyl)propanoic acid
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| Structure |
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| Formula |
C32H28N4O7
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| Molecular Weight |
580.597
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(NC(=O)c2ccccn2)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C32H28N4O7/c37-29(25-12-6-7-17-33-25)34-22-15-13-20(14-16-22)18-26(32(40)41)36-31(39)28-27(42-19-43-28)30(38)35-24-11-5-4-10-23(24)21-8-2-1-3-9-21/h1-17,26-28H,18-19H2,(H,34,37)(H,35,38)(H,36,39)(H,40,41)/t26-,27+,28+/m0/s1
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| InChIKey |
WLZALXYANHGXRL-UPRLRBBYSA-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