General Information of the Compound
| Compound ID |
CP0312988
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| Compound Name |
3-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-pentan-3-ol
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| Structure |
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| Formula |
C19H19ClFNO
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| Molecular Weight |
331.818
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| Canonical SMILES |
CCC(O)(CC)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C19H19ClFNO/c1-3-19(23,4-2)17-12-22(15-8-6-14(21)7-9-15)18-10-5-13(20)11-16(17)18/h5-12,23H,3-4H2,1-2H3
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| InChIKey |
XOSACJAQDPAKSG-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