General Information of the Compound
| Compound ID |
CP0091704
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| Compound Name |
8a-(4-morpholinobenzyl)-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
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| Structure |
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| Formula |
C30H38N2O4S
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| Molecular Weight |
522.711
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(cc2)N2CCOCC2)C1
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| InChI |
InChI=1S/C30H38N2O4S/c1-29(2,3)24-6-10-28(11-7-24)37(34,35)32-15-13-25-20-27(33)12-14-30(25,22-32)21-23-4-8-26(9-5-23)31-16-18-36-19-17-31/h4-11,20H,12-19,21-22H2,1-3H3
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| InChIKey |
PWPVQURQQCHAFH-UHFFFAOYSA-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