General Information of the Compound
| Compound ID |
CP0883377
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| Compound Name |
(5S,11S)-11-((1H-indol-3-yl)methyl)-5-isobutyl-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 |
C34H45N5O4
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| Molecular Weight |
587.765
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| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C34H45N5O4/c1-23(2)20-28-32(41)39-34(15-7-8-16-34)33(42)38-29(21-25-22-37-27-13-5-4-12-26(25)27)31(40)36-17-9-11-24-10-3-6-14-30(24)43-19-18-35-28/h3-6,10,12-14,22-23,28-29,35,37H,7-9,11,15-21H2,1-2H3,(H,36,40)(H,38,42)(H,39,41)/t28-,29-/m0/s1
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| InChIKey |
WDLWCCCKRPSEFJ-VMPREFPWSA-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