General Information of the Compound
| Compound ID |
CP0421117
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| Compound Name |
N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C32H41N3O6
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| Molecular Weight |
563.695
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C32H41N3O6/c1-21(33-30(38)24-12-8-5-9-13-24)29(37)35-27(19-23-14-16-25(40-3)17-15-23)31(39)34-26(28(36)32(2)20-41-32)18-22-10-6-4-7-11-22/h4,6-7,10-11,14-17,21,24,26-27H,5,8-9,12-13,18-20H2,1-3H3,(H,33,38)(H,34,39)(H,35,37)/t21-,26+,27+,32-/m1/s1
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| InChIKey |
JXHAWXRODIYNNP-LCFAYYECSA-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: 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