General Information of the Compound
| Compound ID |
CP0549255
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| Compound Name |
(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-3-cyclohexyl-N-[(2S)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]propanamide
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| Structure |
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| Formula |
C33H42N6O5
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| Molecular Weight |
602.736
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C33H42N6O5/c1-22(29(40)33(2)21-44-33)35-30(41)26(18-23-12-6-3-7-13-23)36-31(42)27(19-24-14-8-4-9-15-24)37-32(43)28(38-39-34)20-25-16-10-5-11-17-25/h3,5-7,10-13,16-17,22,24,26-28H,4,8-9,14-15,18-21H2,1-2H3,(H,35,41)(H,36,42)(H,37,43)/t22-,26-,27-,28-,33+/m0/s1
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| InChIKey |
QZMRLGVUFQOTPC-XMADXXOBSA-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