General Information of the Compound
| Compound ID |
CP0512705
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| Compound Name |
3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one
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| Structure |
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| Formula |
C22H25ClFN3O
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| Molecular Weight |
401.913
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| Canonical SMILES |
Fc1ccc2NC(=O)C(CCCCN3CCN(CC3)c3ccc(Cl)cc3)c2c1
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| InChI |
InChI=1S/C22H25ClFN3O/c23-16-4-7-18(8-5-16)27-13-11-26(12-14-27)10-2-1-3-19-20-15-17(24)6-9-21(20)25-22(19)28/h4-9,15,19H,1-3,10-14H2,(H,25,28)
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| InChIKey |
JJTOKVQOTZLLNF-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