General Information of the Compound
| Compound ID |
CP0932750
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| Compound Name |
(5S,11S)-11-(4-chlorobenzyl)-5-(2-methoxybenzyl)-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 |
C36H41ClN4O5
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| Molecular Weight |
645.2
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| Canonical SMILES |
COc1ccccc1C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C36H41ClN4O5/c1-45-31-12-4-3-10-27(31)24-29-34(43)41-36(18-6-7-19-36)35(44)40-30(23-25-14-16-28(37)17-15-25)33(42)39-20-8-11-26-9-2-5-13-32(26)46-22-21-38-29/h2-5,8-17,29-30,38H,6-7,18-24H2,1H3,(H,39,42)(H,40,44)(H,41,43)/b11-8-/t29-,30-/m0/s1
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| InChIKey |
OISAVRXJLACMMJ-NZJBNPICSA-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