General Information of the Compound
| Compound ID |
CP0476389
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| Compound Name |
(2S)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-3-methyl-N-[(2S)-3-(4-methylcyclohexyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]butanamide
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| Structure |
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| Formula |
C37H51N7O5
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| Molecular Weight |
673.859
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CC1CCC(C)CC1)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C37H51N7O5/c1-23(2)32(36(48)40-29(33(45)37(4)22-49-37)18-26-12-10-24(3)11-13-26)42-34(46)30(19-27-14-16-28(21-38)17-15-27)41-35(47)31(43-44-39)20-25-8-6-5-7-9-25/h5-9,14-17,23-24,26,29-32H,10-13,18-22,38H2,1-4H3,(H,40,48)(H,41,47)(H,42,46)/t24?,26?,29-,30-,31-,32-,37+/m0/s1
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| InChIKey |
KOIHHGMYDRBANB-AXAGNKCTSA-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: PT02579, Proteasome subunit beta type-2