General Information of the Compound
| Compound ID |
CP0902768
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| Compound Name |
(5S,11S)-11-(3-chlorobenzyl)-5-(4-hydroxybenzyl)-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 |
C35H39ClN4O5
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| Molecular Weight |
631.173
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| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccc(O)cc1
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| InChI |
InChI=1S/C35H39ClN4O5/c36-27-10-5-7-25(21-27)23-30-32(42)38-18-6-9-26-8-1-2-11-31(26)45-20-19-37-29(22-24-12-14-28(41)15-13-24)33(43)40-35(34(44)39-30)16-3-4-17-35/h1-2,5-15,21,29-30,37,41H,3-4,16-20,22-23H2,(H,38,42)(H,39,44)(H,40,43)/b9-6-/t29-,30-/m0/s1
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| InChIKey |
XZVODTCZFWILJD-AGNBNRGZSA-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