General Information of the Compound
| Compound ID |
CP0856343
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| Compound Name |
(S)-N1-((S)-1-(cyclopropylmethylamino)-1-oxo-4-phenylbutan-2-yl)-N4-neopentyl-2-(3-phenylpropanamido)succinamide
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| Structure |
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| Formula |
C32H44N4O4
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| Molecular Weight |
548.728
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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)NCC1CC1
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| InChI |
InChI=1S/C32H44N4O4/c1-32(2,3)22-34-29(38)20-27(35-28(37)19-17-24-12-8-5-9-13-24)31(40)36-26(30(39)33-21-25-14-15-25)18-16-23-10-6-4-7-11-23/h4-13,25-27H,14-22H2,1-3H3,(H,33,39)(H,34,38)(H,35,37)(H,36,40)/t26-,27-/m0/s1
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| InChIKey |
YXZOJDHXBJKMSX-SVBPBHIXSA-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