General Information of the Compound
| Compound ID |
CP0446745
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| Compound Name |
(2S)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-3-methylbutanamide
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| Structure |
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| Formula |
C40H55N7O5
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| Molecular Weight |
713.924
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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](CC1CCCC2CCCCC12)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C40H55N7O5/c1-25(2)35(39(51)43-32(36(48)40(3)24-52-40)22-30-14-9-13-29-12-7-8-15-31(29)30)45-37(49)33(20-27-16-18-28(23-41)19-17-27)44-38(50)34(46-47-42)21-26-10-5-4-6-11-26/h4-6,10-11,16-19,25,29-35H,7-9,12-15,20-24,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t29?,30?,31?,32-,33-,34-,35-,40+/m0/s1
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| InChIKey |
XCTXPHBORGJEMF-BGWFXDBJSA-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