General Information of the Compound
| Compound ID |
CP0919926
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| Compound Name |
(5S,11R)-11-benzyl-5-propyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C27H36N4O4
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| Molecular Weight |
480.609
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC1=O
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| InChI |
InChI=1S/C27H36N4O4/c1-2-9-22-26(33)30-19-25(32)31-23(18-20-10-4-3-5-11-20)27(34)29-15-8-13-21-12-6-7-14-24(21)35-17-16-28-22/h3-7,10-12,14,22-23,28H,2,8-9,13,15-19H2,1H3,(H,29,34)(H,30,33)(H,31,32)/t22-,23+/m0/s1
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| InChIKey |
IXMUJKDBIICWAW-XZOQPEGZSA-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