General Information of the Compound
| Compound ID |
CP0502815
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| Compound Name |
5-Fluoro-3-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-cyclohexyl}-1H-indole
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| Formula |
C25H30FN3O
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| Molecular Weight |
407.533
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12
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| InChI |
InChI=1S/C25H30FN3O/c1-30-25-5-3-2-4-24(25)29-14-12-28(13-15-29)20-9-6-18(7-10-20)22-17-27-23-11-8-19(26)16-21(22)23/h2-5,8,11,16-18,20,27H,6-7,9-10,12-15H2,1H3/t18-,20+
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| InChIKey |
PXPDZPCPTSKVAX-PUZFROQSSA-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