General Information of the Compound
| Compound ID |
CP0849435
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| Compound Name |
(S)-N1-((S)-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl)-N4-neopentyl-2-(2-(piperidin-1-yl)acetamido)succinamide
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| Structure |
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| Formula |
C33H47N5O4
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| Molecular Weight |
577.77
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| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)CN1CCCCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C33H47N5O4/c1-33(2,3)24-35-29(39)21-28(36-30(40)23-38-19-11-6-12-20-38)32(42)37-27(18-17-25-13-7-4-8-14-25)31(41)34-22-26-15-9-5-10-16-26/h4-5,7-10,13-16,27-28H,6,11-12,17-24H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t27-,28-/m0/s1
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| InChIKey |
WNBZBKQSQOLXGL-NSOVKSMOSA-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