General Information of the Compound
| Compound ID |
CP0035457
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| Compound Name |
1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C29H26F2N4
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| Molecular Weight |
468.551
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| Canonical SMILES |
Fc1ccc(CC23CN(Cc4ccccn4)CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C29H26F2N4/c30-24-6-4-21(5-7-24)16-29-17-22-18-33-35(27-10-8-25(31)9-11-27)28(22)15-23(29)12-14-34(20-29)19-26-3-1-2-13-32-26/h1-11,13,15,18H,12,14,16-17,19-20H2
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| InChIKey |
ZJBUZFTUQSSYEH-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