General Information of the Compound
| Compound ID |
CP0534918
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C38H43N7O5
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| Molecular Weight |
677.806
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C38H43N7O5/c1-24(2)18-30(34(46)38(3)23-50-38)41-35(47)31(19-25-12-6-4-7-13-25)42-36(48)32(21-27-22-40-29-17-11-10-16-28(27)29)43-37(49)33(44-45-39)20-26-14-8-5-9-15-26/h4-17,22,24,30-33,40H,18-21,23H2,1-3H3,(H,41,47)(H,42,48)(H,43,49)/t30-,31-,32-,33-,38+/m0/s1
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| InChIKey |
XXUASUXQABMQQU-RKNLPEHYSA-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