General Information of the Compound
| Compound ID |
CP0455540
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| Compound Name |
(2S)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(1S)-1-cyclohexyl-2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-3-methylbutanamide
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| Structure |
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| Formula |
C35H47N7O5
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| Molecular Weight |
645.805
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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](C1CCCCC1)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C35H47N7O5/c1-22(2)29(34(46)40-30(26-12-8-5-9-13-26)31(43)35(3)21-47-35)39-32(44)27(18-24-14-16-25(20-36)17-15-24)38-33(45)28(41-42-37)19-23-10-6-4-7-11-23/h4,6-7,10-11,14-17,22,26-30H,5,8-9,12-13,18-21,36H2,1-3H3,(H,38,45)(H,39,44)(H,40,46)/t27-,28-,29-,30-,35+/m0/s1
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| InChIKey |
QWFVMTPABLJBCP-KRCRVYNFSA-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