General Information of the Compound
| Compound ID |
CP0888137
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| Compound Name |
(5S,11S)-11-(4-chlorobenzyl)-5-(methoxymethyl)-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 |
C30H37ClN4O5
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| Molecular Weight |
569.102
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| Canonical SMILES |
COC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C30H37ClN4O5/c1-39-20-25-28(37)35-30(14-4-5-15-30)29(38)34-24(19-21-10-12-23(31)13-11-21)27(36)33-16-6-8-22-7-2-3-9-26(22)40-18-17-32-25/h2-3,6-13,24-25,32H,4-5,14-20H2,1H3,(H,33,36)(H,34,38)(H,35,37)/b8-6-/t24-,25-/m0/s1
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| InChIKey |
YJIPFRMCYJRRTE-MRYUYYKNSA-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