General Information of the Compound
| Compound ID |
CP0921116
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| Compound Name |
(5S,11S)-11-benzyl-5-methyl-2,3,4,5,10,11,13,14,15,16-decahydrospiro[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 |
C29H38N4O4
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| Molecular Weight |
506.647
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| Canonical SMILES |
C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C29H38N4O4/c1-21-26(34)33-29(15-7-8-16-29)28(36)32-24(20-22-10-3-2-4-11-22)27(35)31-17-9-13-23-12-5-6-14-25(23)37-19-18-30-21/h2-6,10-12,14,21,24,30H,7-9,13,15-20H2,1H3,(H,31,35)(H,32,36)(H,33,34)/t21-,24-/m0/s1
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| InChIKey |
DDMBPWRTMCJGTO-URXFXBBRSA-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