General Information of the Compound
| Compound ID |
CP0579787
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| Compound Name |
(2S)-N-[(1S)-2-(5-amino-1,3,4-oxadiazol-2-yl)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@H](Cc1nnc(N)o1)NC(=O)[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C25H32N4O3/c1-4-8-17(2)16-31-21-13-11-20(12-14-21)22(15-23-28-29-25(26)32-23)27-24(30)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22H,4,8,15-16H2,1-3H3,(H2,26,29)(H,27,30)/t17?,18-,22-/m0/s1
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| InChIKey |
KBQRJXPPXXFCFZ-RBENRJQXSA-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