General Information of the Compound
| Compound ID |
CP0875143
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| Compound Name |
(5S,11S)-11-benzyl-5-isopropyl-2,3,4,5,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopropane]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C29H36N4O4
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| Molecular Weight |
504.631
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| Canonical SMILES |
CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CC2)NC1=O
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| InChI |
InChI=1S/C29H36N4O4/c1-20(2)25-27(35)33-29(14-15-29)28(36)32-23(19-21-9-4-3-5-10-21)26(34)31-16-8-12-22-11-6-7-13-24(22)37-18-17-30-25/h3-13,20,23,25,30H,14-19H2,1-2H3,(H,31,34)(H,32,36)(H,33,35)/b12-8-/t23-,25-/m0/s1
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| InChIKey |
RWOIGFVLHXFOKO-IESGYDQZSA-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