General Information of the Compound
| Compound ID |
CP0871110
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| Compound Name |
(5S,11S)-11-benzyl-5-butyl-2,3,4,5,10,11,13,14,15,16-decahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C32H44N4O4
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| Molecular Weight |
548.728
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| Canonical SMILES |
CCCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C32H44N4O4/c1-2-3-16-26-30(38)36-32(18-9-10-19-32)31(39)35-27(23-24-12-5-4-6-13-24)29(37)34-20-11-15-25-14-7-8-17-28(25)40-22-21-33-26/h4-8,12-14,17,26-27,33H,2-3,9-11,15-16,18-23H2,1H3,(H,34,37)(H,35,39)(H,36,38)/t26-,27-/m0/s1
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| InChIKey |
FTJDGEJVJCGEIB-SVBPBHIXSA-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