General Information of the Compound
| Compound ID |
CP0945375
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| Compound Name |
(5S,11S)-11-benzyl-5-ethyl-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 |
C30H38N4O4
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| Molecular Weight |
518.658
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| Canonical SMILES |
CC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C30H38N4O4/c1-2-24-28(36)34-30(16-8-9-17-30)29(37)33-25(21-22-11-4-3-5-12-22)27(35)32-18-10-14-23-13-6-7-15-26(23)38-20-19-31-24/h3-7,10-15,24-25,31H,2,8-9,16-21H2,1H3,(H,32,35)(H,33,37)(H,34,36)/b14-10-/t24-,25-/m0/s1
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| InChIKey |
QYVNRAOBFWBTNU-TUMURNGGSA-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