General Information of the Compound
| Compound ID |
CP0549209
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| Compound Name |
(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-4,4-dimethyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide
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| Structure |
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| Formula |
C34H46N6O5
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| Molecular Weight |
618.779
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C34H46N6O5/c1-22(2)17-25(29(41)34(6)21-45-34)36-30(42)26(18-23-13-9-7-10-14-23)37-32(44)28(20-33(3,4)5)38-31(43)27(39-40-35)19-24-15-11-8-12-16-24/h7-16,22,25-28H,17-21H2,1-6H3,(H,36,42)(H,37,44)(H,38,43)/t25-,26-,27-,28-,34+/m0/s1
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| InChIKey |
JARLYACUFYLANF-RMUUDNPMSA-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