General Information of the Compound
| Compound ID |
CP0881288
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| Compound Name |
(S)-2-((S)-2-(2-(1H-indol-3-yl)-2-oxoacetamido)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamido)-N-(4-methylbenzyl)-4-phenylbutanamide
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| Structure |
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| Formula |
C37H40N6O5
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| Molecular Weight |
648.764
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| Canonical SMILES |
Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2nc(C(C)(C)C)no2)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C37H40N6O5/c1-23-14-16-25(17-15-23)21-39-33(45)29(19-18-24-10-6-5-7-11-24)40-34(46)30(20-31-42-36(43-48-31)37(2,3)4)41-35(47)32(44)27-22-38-28-13-9-8-12-26(27)28/h5-17,22,29-30,38H,18-21H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-/m0/s1
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| InChIKey |
DPGQQXHQAVXKQK-KYJUHHDHSA-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