General Information of the Compound
| Compound ID |
CP0956189
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| Compound Name |
(3'R,6R,8S)-6-(cycloocta-1,3,5,7-tetraenyl)-8-hydroxy-8-methyl-2-phenyl-7,8-dihydrospiro[[1,2,4]triazolo[1,2-a]pyridazine-5,3'-chroman]-1,3,4'(2H,6H)-trione
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| Structure |
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| Formula |
C29H25N3O5
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| Molecular Weight |
495.535
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| Canonical SMILES |
C[C@]1(O)C[C@H](C2=C/C=C\C=C/C=C\2)[C@]2(COc3ccccc3C2=O)n2c(=O)n(-c3ccccc3)c(=O)n21
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| InChI |
InChI=1S/C29H25N3O5/c1-28(36)18-23(20-12-6-3-2-4-7-13-20)29(19-37-24-17-11-10-16-22(24)25(29)33)32-27(35)30(26(34)31(28)32)21-14-8-5-9-15-21/h2-17,23,36H,18-19H2,1H3/b3-2-,4-2?,6-3?,7-4-,12-6-,13-7?,20-12?,20-13+/t23-,28+,29+/m1/s1
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| InChIKey |
ORFFDQFWLRDVQN-NCMMJOOPSA-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