General Information of the Compound
| Compound ID |
CP0949621
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| Compound Name |
(5S,11S)-11-benzyl-5-(naphthalen-1-ylmethyl)-2,3,4,5,10,11,13,14-octahydrospiro[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 |
C39H42N4O4
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| Molecular Weight |
630.789
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| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cccc2ccccc12
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| InChI |
InChI=1S/C39H42N4O4/c44-36-34(26-28-12-2-1-3-13-28)42-38(46)39(21-8-9-22-39)43-37(45)33(27-31-17-10-16-29-14-4-6-19-32(29)31)40-24-25-47-35-20-7-5-15-30(35)18-11-23-41-36/h1-7,10-20,33-34,40H,8-9,21-27H2,(H,41,44)(H,42,46)(H,43,45)/b18-11-/t33-,34-/m0/s1
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| InChIKey |
GSIGZEKAABXHPZ-MNQNQIJJSA-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