General Information of the Compound
| Compound ID |
CP0867135
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| Compound Name |
3-((5S,11S)-11-benzyl-6,9,12-trioxo-2,3,4,5,6,7,9,10,11,12,13,14,15,16-tetradecahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-5-yl)propanoic acid
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| Structure |
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| Formula |
C31H40N4O6
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| Molecular Weight |
564.683
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| Canonical SMILES |
O=C(O)CC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C31H40N4O6/c36-27(37)15-14-24-29(39)35-31(16-6-7-17-31)30(40)34-25(21-22-9-2-1-3-10-22)28(38)33-18-8-12-23-11-4-5-13-26(23)41-20-19-32-24/h1-5,9-11,13,24-25,32H,6-8,12,14-21H2,(H,33,38)(H,34,40)(H,35,39)(H,36,37)/t24-,25-/m0/s1
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| InChIKey |
XJXKHDOPICWBTK-DQEYMECFSA-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