General Information of the Compound
| Compound ID |
CP0238530
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| Compound Name |
(6S,12R)-12-benzyl-6-(hydroxymethyl)-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
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| Structure |
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| Formula |
C26H34N4O5
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| Molecular Weight |
482.581
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| Canonical SMILES |
CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CO)C1=O
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| InChI |
InChI=1S/C26H34N4O5/c1-30-17-24(32)29-21(16-19-8-3-2-4-9-19)25(33)28-13-7-11-20-10-5-6-12-23(20)35-15-14-27-22(18-31)26(30)34/h2-6,8-10,12,21-22,27,31H,7,11,13-18H2,1H3,(H,28,33)(H,29,32)/t21-,22+/m1/s1
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| InChIKey |
VSYIVGXJBAJWQA-YADHBBJMSA-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