General Information of the Compound
| Compound ID |
CP0034892
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| Compound Name |
(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C27H29FN4O2S
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| Molecular Weight |
492.62
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2C[C@]3(CN4CCCC4)CN(CCC3=Cc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C27H29FN4O2S/c28-23-8-10-24(11-9-23)32-26-16-22-12-15-31(35(33,34)25-6-2-1-3-7-25)20-27(22,17-21(26)18-29-32)19-30-13-4-5-14-30/h1-3,6-11,16,18H,4-5,12-15,17,19-20H2/t27-/m0/s1
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| InChIKey |
JUBJYIBDDUCCTO-MHZLTWQESA-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