General Information of the Compound
| Compound ID |
CP0883271
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| Compound Name |
(S)-11-(3-chlorobenzyl)-5,5,8,8-tetramethyl-4,5,7,8,10,11,13,14-octahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C28H35ClN4O4
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| Molecular Weight |
527.065
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| Canonical SMILES |
CC1(C)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C(C)(C)NC1=O
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| InChI |
InChI=1S/C28H35ClN4O4/c1-27(2)26(36)33-28(3,4)25(35)32-22(18-19-9-7-12-21(29)17-19)24(34)30-14-8-11-20-10-5-6-13-23(20)37-16-15-31-27/h5-13,17,22,31H,14-16,18H2,1-4H3,(H,30,34)(H,32,35)(H,33,36)/b11-8-/t22-/m0/s1
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| InChIKey |
IGCJNFSSUOYBAH-GIVJRHHMSA-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