General Information of the Compound
| Compound ID |
CP0867090
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| Compound Name |
(5S,11S)-11-sec-butyl-5-isobutyl-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 |
C29H44N4O4
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| Molecular Weight |
512.695
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| Canonical SMILES |
CCC(C)[C@@H]1NC(=O)C2(CCCC2)NC(=O)[C@H](CC(C)C)NCCOc2ccccc2/C=C\CNC1=O
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| InChI |
InChI=1S/C29H44N4O4/c1-5-21(4)25-27(35)31-16-10-12-22-11-6-7-13-24(22)37-18-17-30-23(19-20(2)3)26(34)33-29(28(36)32-25)14-8-9-15-29/h6-7,10-13,20-21,23,25,30H,5,8-9,14-19H2,1-4H3,(H,31,35)(H,32,36)(H,33,34)/b12-10-/t21?,23-,25-/m0/s1
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| InChIKey |
KWYCJKRVGBHBOZ-KBLZXGBSSA-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