General Information of the Compound
| Compound ID |
CP0851210
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| Compound Name |
(5S,11S)-5-isobutyl-11-(4-methoxybenzyl)-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 |
C33H44N4O5
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| Molecular Weight |
576.738
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| Canonical SMILES |
COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)NC(=O)[C@H](CC(C)C)NCCOc3ccccc3/C=C\CNC2=O)cc1
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| InChI |
InChI=1S/C33H44N4O5/c1-23(2)21-27-31(39)37-33(16-6-7-17-33)32(40)36-28(22-24-12-14-26(41-3)15-13-24)30(38)35-18-8-10-25-9-4-5-11-29(25)42-20-19-34-27/h4-5,8-15,23,27-28,34H,6-7,16-22H2,1-3H3,(H,35,38)(H,36,40)(H,37,39)/b10-8-/t27-,28-/m0/s1
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| InChIKey |
ZZFOXDJZECXZJH-HHTQCXTOSA-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