General Information of the Compound
| Compound ID |
CP0875584
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| Compound Name |
(5S,11S)-5-isobutyl-11-(naphthalen-2-ylmethyl)-2,3,4,5,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C36H44N4O4
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| Molecular Weight |
596.772
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| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C36H44N4O4/c1-25(2)22-30-34(42)40-36(17-7-8-18-36)35(43)39-31(24-26-15-16-27-10-3-4-12-29(27)23-26)33(41)38-19-9-13-28-11-5-6-14-32(28)44-21-20-37-30/h3-6,9-16,23,25,30-31,37H,7-8,17-22,24H2,1-2H3,(H,38,41)(H,39,43)(H,40,42)/b13-9-/t30-,31-/m0/s1
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| InChIKey |
CXXPYVIXKMQKGP-TVIVIDCRSA-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