General Information of the Compound
| Compound ID |
CP0411526
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| Compound Name |
1-(9H-carbazol-4-yloxy)-3-[[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol
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| Structure |
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| Formula |
C29H31FN4O2
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| Molecular Weight |
486.591
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| Canonical SMILES |
CN(CC(O)COc1cccc2[nH]c3ccccc3c12)Cc1c(C)nn(Cc2ccccc2F)c1C
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| InChI |
InChI=1S/C29H31FN4O2/c1-19-24(20(2)34(32-19)15-21-9-4-6-11-25(21)30)17-33(3)16-22(35)18-36-28-14-8-13-27-29(28)23-10-5-7-12-26(23)31-27/h4-14,22,31,35H,15-18H2,1-3H3
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| InChIKey |
SATTWQVHIRDRIQ-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