General Information of the Compound
| Compound ID |
CP0350045
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| Compound Name |
(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C27H28F2N4O2S
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| Molecular Weight |
510.61
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2C[C@]3(CN4CCCC4)CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H28F2N4O2S/c28-22-3-7-24(8-4-22)33-26-15-21-11-14-32(36(34,35)25-9-5-23(29)6-10-25)19-27(21,16-20(26)17-30-33)18-31-12-1-2-13-31/h3-10,15,17H,1-2,11-14,16,18-19H2/t27-/m0/s1
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| InChIKey |
OYLSEWFMYDVUSK-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