General Information of the Compound
| Compound ID |
CP0431920
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| Compound Name |
(2S)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(2S)-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-methylbutanamide
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| Structure |
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| Formula |
C37H49N7O5
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| Molecular Weight |
671.843
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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](CC1CC2CCC1C2)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C37H49N7O5/c1-22(2)32(36(48)40-29(33(45)37(3)21-49-37)19-28-16-26-13-14-27(28)15-26)42-34(46)30(17-24-9-11-25(20-38)12-10-24)41-35(47)31(43-44-39)18-23-7-5-4-6-8-23/h4-12,22,26-32H,13-21,38H2,1-3H3,(H,40,48)(H,41,47)(H,42,46)/t26?,27?,28?,29-,30-,31-,32-,37+/m0/s1
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| InChIKey |
SDQYBOWUGLSVJI-ULZPBXQNSA-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