General Information of the Compound
| Compound ID |
CP0958206
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| Compound Name |
(8S,11S)-11-(3-chlorobenzyl)-8-methyl-3,4,7,8,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-5,1'-cyclopentane]-6,9,12(2H)-trione
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| Structure |
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| Formula |
C29H35ClN4O4
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| Molecular Weight |
539.076
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| Canonical SMILES |
C[C@@H]1NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O
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| InChI |
InChI=1S/C29H35ClN4O4/c1-20-26(35)34-24(19-21-8-6-11-23(30)18-21)27(36)31-15-7-10-22-9-2-3-12-25(22)38-17-16-32-29(28(37)33-20)13-4-5-14-29/h2-3,6-12,18,20,24,32H,4-5,13-17,19H2,1H3,(H,31,36)(H,33,37)(H,34,35)/b10-7-/t20-,24-/m0/s1
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| InChIKey |
UHLYYDKJWZEJRC-ZTRAXAFBSA-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