General Information of the Compound
| Compound ID |
CP0901793
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| Compound Name |
(5S,8R,11S,Z)-11-benzyl-5-sec-butyl-8-methyl-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 |
C29H38N4O4
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| Molecular Weight |
506.647
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O
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| InChI |
InChI=1S/C29H38N4O4/c1-4-20(2)26-29(36)32-21(3)27(34)33-24(19-22-11-6-5-7-12-22)28(35)31-16-10-14-23-13-8-9-15-25(23)37-18-17-30-26/h5-15,20-21,24,26,30H,4,16-19H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)/b14-10-/t20-,21+,24-,26-/m0/s1
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| InChIKey |
VLDKUPFIFFBAEL-KBRYCEHPSA-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