General Information of the Compound
| Compound ID |
CP0947207
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| Compound Name |
(5S,11S)-11-benzyl-5-isopropyl-1',2,3,3',4,5,10,11,13,14-decahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,2'-indene]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C35H40N4O4
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| Molecular Weight |
580.729
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| Canonical SMILES |
CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC1=O
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| InChI |
InChI=1S/C35H40N4O4/c1-24(2)31-33(41)39-35(22-27-14-6-7-15-28(27)23-35)34(42)38-29(21-25-11-4-3-5-12-25)32(40)37-18-10-16-26-13-8-9-17-30(26)43-20-19-36-31/h3-17,24,29,31,36H,18-23H2,1-2H3,(H,37,40)(H,38,42)(H,39,41)/b16-10-/t29-,31-/m0/s1
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| InChIKey |
TVYQXNGBURBTGW-APIASAIPSA-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