General Information of the Compound
| Compound ID |
CP0098995
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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]-4-(4-methylphenyl)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide
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| Structure |
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| Formula |
C37H52N4O5
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| Molecular Weight |
632.846
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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](CCc1ccc(C)cc1)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C37H52N4O5/c1-26(2)22-31(38-33(42)24-41-20-10-5-6-11-21-41)35(44)40-32(23-29-12-8-7-9-13-29)36(45)39-30(34(43)37(4)25-46-37)19-18-28-16-14-27(3)15-17-28/h7-9,12-17,26,30-32H,5-6,10-11,18-25H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/t30-,31-,32-,37+/m0/s1
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| InChIKey |
VQYDMTVFQVMOIH-FNNAEHFOSA-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: PT06625, Proteasome subunit beta type-1
Protein ID: PT02583, Proteasome subunit beta type-1
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