General Information of the Compound
| Compound ID |
CP0427458
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| Compound Name |
N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-2-methylbenzamide
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| Structure |
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| Formula |
C25H38N6O7
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| Molecular Weight |
534.614
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C25H38N6O7/c1-13(2)19(31-21(35)15-7-5-9-18(33)14(15)3)23(37)30-17(11-32)22(36)29-16(8-6-10-28-24(26)27)20(34)25(4)12-38-25/h5,7,9,13,16-17,19,32-33H,6,8,10-12H2,1-4H3,(H,29,36)(H,30,37)(H,31,35)(H4,26,27,28)/t16-,17-,19-,25+/m0/s1
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| InChIKey |
ALBAKAPRKLPXLJ-BCGYLUKHSA-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: PT02583, Proteasome subunit beta type-1
Protein ID: PT02579, Proteasome subunit beta type-2
Protein ID: PT02585, Proteasome subunit beta type-5