General Information of the Compound
| Compound ID |
CP0871221
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| Compound Name |
(5S,8R,11S)-11-benzyl-5-isobutyl-8-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 |
C29H40N4O4
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| Molecular Weight |
508.663
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| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O
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| InChI |
InChI=1S/C29H40N4O4/c1-20(2)18-24-29(36)32-21(3)27(34)33-25(19-22-10-5-4-6-11-22)28(35)31-15-9-13-23-12-7-8-14-26(23)37-17-16-30-24/h4-8,10-12,14,20-21,24-25,30H,9,13,15-19H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)/t21-,24+,25+/m1/s1
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| InChIKey |
SXNDYZAPVYDWEK-ZODMCCGTSA-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