General Information of the Compound
| Compound ID |
CP0888139
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| Compound Name |
(5S,11S)-11-(benzyloxymethyl)-5-sec-butyl-8,8-dimethyl-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 |
C31H42N4O5
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| Molecular Weight |
550.7
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](COCc2ccccc2)NC(=O)C(C)(C)NC1=O
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| InChI |
InChI=1S/C31H42N4O5/c1-5-22(2)27-29(37)35-31(3,4)30(38)34-25(21-39-20-23-12-7-6-8-13-23)28(36)33-17-11-15-24-14-9-10-16-26(24)40-19-18-32-27/h6-16,22,25,27,32H,5,17-21H2,1-4H3,(H,33,36)(H,34,38)(H,35,37)/b15-11-/t22-,25-,27-/m0/s1
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| InChIKey |
BFOPZUZAJDKCLD-STTPREBZSA-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