General Information of the Compound
| Compound ID |
CP0431917
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| Compound Name |
(2S)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
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| Structure |
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| Formula |
C35H52N4O7
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| Molecular Weight |
640.822
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCC3CCCCC3C2)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C35H52N4O7/c1-23(36-31(40)21-39-14-16-45-17-15-39)33(42)38-30(19-24-9-12-28(44-3)13-10-24)34(43)37-29(32(41)35(2)22-46-35)20-25-8-11-26-6-4-5-7-27(26)18-25/h9-10,12-13,23,25-27,29-30H,4-8,11,14-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25?,26?,27?,29-,30-,35+/m0/s1
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| InChIKey |
FMPIHZTZRXALLG-ZWUCUWDTSA-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