General Information of the Compound
| Compound ID |
CP0875196
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| Compound Name |
(5S,11S)-5-isobutyl-11-(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 |
C30H40N4O4S
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| Molecular Weight |
552.741
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| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccs2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C30H40N4O4S/c1-21(2)19-24-28(36)34-30(13-5-6-14-30)29(37)33-25(20-23-11-8-18-39-23)27(35)32-15-7-10-22-9-3-4-12-26(22)38-17-16-31-24/h3-4,7-12,18,21,24-25,31H,5-6,13-17,19-20H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/b10-7-/t24-,25-/m0/s1
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| InChIKey |
HLBZZYQILTVYQW-WPUBAZMZSA-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