General Information of the Compound
| Compound ID |
CP0902656
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| Compound Name |
(5R,8S,11S)-8,11-dibutyl-5-isopropyl-4,5,7,8,10,11,13,14-octahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C28H44N4O4
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| Molecular Weight |
500.684
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| Canonical SMILES |
CCCC[C@@H]1NC(=O)[C@H](CCCC)NC(=O)[C@@H](C(C)C)NCCOc2ccccc2/C=C\CNC1=O
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| InChI |
InChI=1S/C28H44N4O4/c1-5-7-14-22-26(33)30-17-11-13-21-12-9-10-16-24(21)36-19-18-29-25(20(3)4)28(35)32-23(15-8-6-2)27(34)31-22/h9-13,16,20,22-23,25,29H,5-8,14-15,17-19H2,1-4H3,(H,30,33)(H,31,34)(H,32,35)/b13-11-/t22-,23-,25+/m0/s1
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| InChIKey |
JIZFIIRIEBPVMX-STTVGPLQSA-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