General Information of the Compound
| Compound ID |
CP0966785
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| Compound Name |
(5S,11S)-11-benzyl-5-(hydroxymethyl)-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 |
C29H38N4O5
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| Molecular Weight |
522.646
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| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@H]1CO
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| InChI |
InChI=1S/C29H38N4O5/c34-20-24-27(36)33-29(14-6-7-15-29)28(37)32-23(19-21-9-2-1-3-10-21)26(35)31-16-8-12-22-11-4-5-13-25(22)38-18-17-30-24/h1-5,9-11,13,23-24,30,34H,6-8,12,14-20H2,(H,31,35)(H,32,37)(H,33,36)/t23-,24-/m0/s1
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| InChIKey |
GJEGLMOLRJSKKN-ZEQRLZLVSA-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