General Information of the Compound
| Compound ID |
CP0919925
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| Compound Name |
(5S,11S)-5,11-dibenzyl-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 |
C35H42N4O4
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| Molecular Weight |
582.745
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| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@H]1Cc1ccccc1
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| InChI |
InChI=1S/C35H42N4O4/c40-32-30(25-27-14-5-2-6-15-27)38-34(42)35(19-9-10-20-35)39-33(41)29(24-26-12-3-1-4-13-26)36-22-23-43-31-18-8-7-16-28(31)17-11-21-37-32/h1-8,12-16,18,29-30,36H,9-11,17,19-25H2,(H,37,40)(H,38,42)(H,39,41)/t29-,30-/m0/s1
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| InChIKey |
YZUVWQGWIYOQGI-KYJUHHDHSA-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