General Information of the Compound
| Compound ID |
CP0849438
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| Compound Name |
(S)-N1-((S)-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl)-N4-neopentyl-2-(3-phenylpropanamido)succinamide
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| Structure |
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| Formula |
C35H44N4O4
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| Molecular Weight |
584.761
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| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C35H44N4O4/c1-35(2,3)25-37-32(41)23-30(38-31(40)22-20-27-15-9-5-10-16-27)34(43)39-29(21-19-26-13-7-4-8-14-26)33(42)36-24-28-17-11-6-12-18-28/h4-18,29-30H,19-25H2,1-3H3,(H,36,42)(H,37,41)(H,38,40)(H,39,43)/t29-,30-/m0/s1
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| InChIKey |
QDGVPNUWJSFNQJ-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