General Information of the Compound
| Compound ID |
CP0519774
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| Compound Name |
1-(4-fluorophenyl)-1-[3-[(5-methoxy-1H-indol-3-yl)methyl-methylamino]propyl]-3H-2-benzofuran-5-carbonitrile
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| Structure |
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| Formula |
C29H28FN3O2
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| Molecular Weight |
469.56
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| Canonical SMILES |
COc1ccc2[nH]cc(CN(C)CCCC3(OCc4cc(ccc34)C#N)c3ccc(F)cc3)c2c1
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| InChI |
InChI=1S/C29H28FN3O2/c1-33(18-22-17-32-28-11-9-25(34-2)15-26(22)28)13-3-12-29(23-5-7-24(30)8-6-23)27-10-4-20(16-31)14-21(27)19-35-29/h4-11,14-15,17,32H,3,12-13,18-19H2,1-2H3
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| InChIKey |
CKTRVQRYRAVIKV-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