General Information of the Compound
| Compound ID |
CP0869398
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| Compound Name |
ethyl 3-((5S,11S)-5-isobutyl-6,9,12-trioxo-2,3,4,5,6,7,9,10,11,12,13,14-dodecahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-11-yl)propanoate
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| Structure |
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| Formula |
C30H44N4O6
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| Molecular Weight |
556.704
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| Canonical SMILES |
CCOC(=O)CC[C@@H]1NC(=O)C2(CCCC2)NC(=O)[C@H](CC(C)C)NCCOc2ccccc2/C=C\CNC1=O
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| InChI |
InChI=1S/C30H44N4O6/c1-4-39-26(35)14-13-23-27(36)32-17-9-11-22-10-5-6-12-25(22)40-19-18-31-24(20-21(2)3)28(37)34-30(29(38)33-23)15-7-8-16-30/h5-6,9-12,21,23-24,31H,4,7-8,13-20H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/b11-9-/t23-,24-/m0/s1
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| InChIKey |
PGJRXWUZRXNBKS-UMSUMUGOSA-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