General Information of the Compound
| Compound ID |
CP0959891
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| Compound Name |
(5S,11S)-5-sec-butyl-11-(3,5-difluorobenzyl)-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 |
C32H40F2N4O4
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| Molecular Weight |
582.692
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C32H40F2N4O4/c1-3-21(2)28-30(40)38-32(12-6-7-13-32)31(41)37-26(19-22-17-24(33)20-25(34)18-22)29(39)36-14-8-10-23-9-4-5-11-27(23)42-16-15-35-28/h4-5,8-11,17-18,20-21,26,28,35H,3,6-7,12-16,19H2,1-2H3,(H,36,39)(H,37,41)(H,38,40)/b10-8-/t21-,26-,28-/m0/s1
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| InChIKey |
XHXOXGOGBUETRJ-QUOOTNRESA-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