General Information of the Compound
| Compound ID |
CP0864943
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| Compound Name |
(Z)-11-((1H-imidazol-4-yl)methyl)-5-isobutyl-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 |
C29H40N6O4
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| Molecular Weight |
536.677
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| Canonical SMILES |
CC(C)CC1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C29H40N6O4/c1-20(2)16-23-27(37)35-29(11-5-6-12-29)28(38)34-24(17-22-18-30-19-33-22)26(36)32-13-7-9-21-8-3-4-10-25(21)39-15-14-31-23/h3-4,7-10,18-20,23-24,31H,5-6,11-17H2,1-2H3,(H,30,33)(H,32,36)(H,34,38)(H,35,37)/b9-7-
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| InChIKey |
WLRIYQSTBMNTLH-CLFYSBASSA-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