General Information of the Compound
| Compound ID |
CP0034893
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| Compound Name |
(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(2-piperidin-1-ylethoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C34H43FN4O3S
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| Molecular Weight |
606.808
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(COCCN2CCCCC2)C1)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C34H43FN4O3S/c1-33(2,3)27-7-13-31(14-8-27)43(40,41)38-18-15-28-21-32-26(23-36-39(32)30-11-9-29(35)10-12-30)22-34(28,24-38)25-42-20-19-37-16-5-4-6-17-37/h7-14,21,23H,4-6,15-20,22,24-25H2,1-3H3/t34-/m1/s1
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| InChIKey |
PVLDWGPAFHHLQK-UUWRZZSWSA-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