General Information of the Compound
| Compound ID |
CP0932748
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| Compound Name |
3-(((5S,11S)-5-sec-butyl-6,9,12-trioxo-2,3,4,5,6,7,9,10,11,12,13,14-dodecahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-11-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C33H41N5O4
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| Molecular Weight |
571.722
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C33H41N5O4/c1-3-23(2)29-31(40)38-33(15-6-7-16-33)32(41)37-27(21-24-10-8-11-25(20-24)22-34)30(39)36-17-9-13-26-12-4-5-14-28(26)42-19-18-35-29/h4-5,8-14,20,23,27,29,35H,3,6-7,15-19,21H2,1-2H3,(H,36,39)(H,37,41)(H,38,40)/b13-9-/t23-,27-,29-/m0/s1
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| InChIKey |
ZZMMYHYIQKABRE-DIAHOGTLSA-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