General Information of the Compound
| Compound ID |
CP0350043
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| Compound Name |
(4aS)-4a-benzyl-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C33H34FN3O2S
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| Molecular Weight |
555.719
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(Cc2ccccc2)C1)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C33H34FN3O2S/c1-32(2,3)26-9-15-30(16-10-26)40(38,39)36-18-17-27-19-31-25(22-35-37(31)29-13-11-28(34)12-14-29)21-33(27,23-36)20-24-7-5-4-6-8-24/h4-16,19,22H,17-18,20-21,23H2,1-3H3/t33-/m1/s1
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| InChIKey |
XHWYNIILYAUVII-MGBGTMOVSA-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