General Information of the Compound
| Compound ID |
CP0086566
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| Compound Name |
(2S)-2-[[2-(azepan-1-yl)acetyl]amino]-4-methyl-N-[(2S)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide
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| Structure |
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| Formula |
C35H48N4O5
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| Molecular Weight |
604.792
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
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| InChIKey |
BSASWESTQXYVIM-UAFVBSIISA-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
Protein ID: PT03496, Proteasome subunit beta type-10
Protein ID: PT07183, Proteasome subunit beta type-10
Protein ID: PT02579, Proteasome subunit beta type-2
Protein ID: PT06951, Proteasome subunit beta type-2
Protein ID: PT03791, Proteasome subunit beta type-5
Protein ID: PT02585, Proteasome subunit beta type-5
Protein ID: PT03168, Proteasome subunit beta type-8
Protein ID: PT04765, Proteasome subunit beta type-8
Protein ID: PT06624, Proteasome subunit beta type-9
Protein ID: PT03838, Proteasome subunit beta type-9