General Information of the Compound
| Compound ID |
CP0913579
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| Compound Name |
(5S,11S)-11-benzyl-5-isopropyl-2,2',3,3',4,5,5',6',10,11,13,14-dodecahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,4'-pyran]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C31H40N4O5
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| Molecular Weight |
548.684
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| Canonical SMILES |
CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCOCC2)NC1=O
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| InChI |
InChI=1S/C31H40N4O5/c1-22(2)27-29(37)35-31(14-18-39-19-15-31)30(38)34-25(21-23-9-4-3-5-10-23)28(36)33-16-8-12-24-11-6-7-13-26(24)40-20-17-32-27/h3-13,22,25,27,32H,14-21H2,1-2H3,(H,33,36)(H,34,38)(H,35,37)/b12-8-/t25-,27-/m0/s1
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| InChIKey |
COBJCKDQSDOOCT-HZZSYRDHSA-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