General Information of the Compound
| Compound ID |
CP0914435
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| Compound Name |
(5S,11S)-11-benzyl-5-(thiophen-2-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 |
C33H38N4O4S
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| Molecular Weight |
586.758
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| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cccs1
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| InChI |
InChI=1S/C33H38N4O4S/c38-30-28(22-24-10-2-1-3-11-24)36-32(40)33(16-6-7-17-33)37-31(39)27(23-26-14-9-21-42-26)34-19-20-41-29-15-5-4-12-25(29)13-8-18-35-30/h1-5,8-15,21,27-28,34H,6-7,16-20,22-23H2,(H,35,38)(H,36,40)(H,37,39)/b13-8-/t27-,28-/m0/s1
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| InChIKey |
QWXCEHMYOPLRBB-AQVRRDMNSA-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