General Information of the Compound
| Compound ID |
CP0958942
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| Compound Name |
N-((2S)-3-hydroxy-1-((2S)-1-hydroxy-1-((R)-2-methyloxiran-2-yl)-3-phenylpropan-2-ylamino)-1-oxopropan-2-yl)-6-oxo-1,6-dihydropyridine-2-carboxamide
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| Formula |
C21H25N3O6
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| Molecular Weight |
415.446
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| Canonical SMILES |
C[C@]1(C(O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)c2cccc(=O)[nH]2)CO1
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| InChI |
InChI=1S/C21H25N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,18,25,27H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,18?,21+/m0/s1
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| InChIKey |
WPKBTFXXDYIAOB-QZOPPTLMSA-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