General Information of the Compound
| Compound ID |
CP0435565
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| Compound Name |
6-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-chromen-2-one
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| Structure |
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| Formula |
C25H26FN3O2
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| Molecular Weight |
419.5
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(=O)ccc4c3)c2c1
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| InChI |
InChI=1S/C25H26FN3O2/c26-20-5-7-23-22(16-20)19(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-6-8-24-18(15-21)4-9-25(30)31-24/h4-9,15-17,27H,1-3,10-14H2
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| InChIKey |
CMCPGNNULUGJBT-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