General Information of the Compound
| Compound ID |
CP0849437
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| Compound Name |
(S)-N1-((S)-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl)-N4-neopentyl-2-pivalamidosuccinamide
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| Structure |
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| Formula |
C31H44N4O4
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| Molecular Weight |
536.717
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| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C31H44N4O4/c1-30(2,3)21-33-26(36)19-25(35-29(39)31(4,5)6)28(38)34-24(18-17-22-13-9-7-10-14-22)27(37)32-20-23-15-11-8-12-16-23/h7-16,24-25H,17-21H2,1-6H3,(H,32,37)(H,33,36)(H,34,38)(H,35,39)/t24-,25-/m0/s1
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| InChIKey |
IKZJHMUCWHDWIW-DQEYMECFSA-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