General Information of the Compound
| Compound ID |
CP0851206
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| Compound Name |
(5S,11S)-4-acetyl-11-benzyl-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 |
C34H46N4O5
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| Molecular Weight |
590.765
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| Canonical SMILES |
CC(=O)N1CCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)[C@@H]1CC(C)C
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| InChI |
InChI=1S/C34H46N4O5/c1-24(2)22-29-32(41)37-34(17-9-10-18-34)33(42)36-28(23-26-12-5-4-6-13-26)31(40)35-19-11-15-27-14-7-8-16-30(27)43-21-20-38(29)25(3)39/h4-8,12-14,16,24,28-29H,9-11,15,17-23H2,1-3H3,(H,35,40)(H,36,42)(H,37,41)/t28-,29-/m0/s1
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| InChIKey |
VYICVYNGIWHVTP-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