General Information of the Compound
| Compound ID |
CP0875139
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| Compound Name |
(5S,8R,11R)-11-benzyl-5-sec-butyl-8-ethyl-7-methyl-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 |
C31H44N4O4
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| Molecular Weight |
536.717
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| Canonical SMILES |
CC[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H]([C@@H](C)CC)C(=O)N1C
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| InChI |
InChI=1S/C31H44N4O4/c1-5-22(3)28-31(38)35(4)26(6-2)30(37)34-25(21-23-13-8-7-9-14-23)29(36)33-18-12-16-24-15-10-11-17-27(24)39-20-19-32-28/h7-11,13-15,17,22,25-26,28,32H,5-6,12,16,18-21H2,1-4H3,(H,33,36)(H,34,37)/t22-,25+,26+,28-/m0/s1
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| InChIKey |
LQGFHEULMHASKI-HSWHJCFASA-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