General Information of the Compound
| Compound ID |
CP0877531
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| Compound Name |
(S)-N1-((S)-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl)-2-(4-tert-butylbenzamido)-N4-neopentylsuccinamide
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| Structure |
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| Formula |
C37H48N4O4
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| Molecular Weight |
612.815
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| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C37H48N4O4/c1-36(2,3)25-39-32(42)23-31(41-33(43)28-18-20-29(21-19-28)37(4,5)6)35(45)40-30(22-17-26-13-9-7-10-14-26)34(44)38-24-27-15-11-8-12-16-27/h7-16,18-21,30-31H,17,22-25H2,1-6H3,(H,38,44)(H,39,42)(H,40,45)(H,41,43)/t30-,31-/m0/s1
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| InChIKey |
YGZKGBLXMRRKPI-CONSDPRKSA-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