General Information of the Compound
| Compound ID |
CP0446741
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| Compound Name |
(2S)-N-[(2S)-1-[[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanamide
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| Structure |
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| Formula |
C30H49N5O6S
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| Molecular Weight |
607.818
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C30H49N5O6S/c1-21(2)16-26(33-28(36)20-35-11-13-41-14-12-35)30(38)34-27(17-22(3)4)29(37)32-25(10-15-42(5,39)40)18-23-6-8-24(19-31)9-7-23/h6-10,15,21-22,25-27H,11-14,16-20,31H2,1-5H3,(H,32,37)(H,33,36)(H,34,38)/b15-10+/t25-,26+,27+/m1/s1
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| InChIKey |
HPZMEOVZNOINIO-YFCFNPFFSA-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