General Information of the Compound
| Compound ID |
CP0952679
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| Compound Name |
5-isobutyl-11-(pyridin-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 |
C31H41N5O4
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| Molecular Weight |
547.7
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| Canonical SMILES |
CC(C)CC1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccccn2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C31H41N5O4/c1-22(2)20-25-29(38)36-31(14-6-7-15-31)30(39)35-26(21-24-12-5-8-16-32-24)28(37)34-17-9-11-23-10-3-4-13-27(23)40-19-18-33-25/h3-5,8-13,16,22,25-26,33H,6-7,14-15,17-21H2,1-2H3,(H,34,37)(H,35,39)(H,36,38)/b11-9-
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| InChIKey |
GAPGLTYKZLYJHR-LUAWRHEFSA-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