General Information of the Compound
| Compound ID |
CP0869399
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| Compound Name |
(5S,11S)-11-benzyl-5-propyl-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 |
C31H40N4O4
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| Molecular Weight |
532.685
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C31H40N4O4/c1-2-11-25-29(37)35-31(17-8-9-18-31)30(38)34-26(22-23-12-4-3-5-13-23)28(36)33-19-10-15-24-14-6-7-16-27(24)39-21-20-32-25/h3-7,10,12-16,25-26,32H,2,8-9,11,17-22H2,1H3,(H,33,36)(H,34,38)(H,35,37)/b15-10-/t25-,26-/m0/s1
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| InChIKey |
ZFKMXAHBFKADII-WQFBZKRWSA-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