General Information of the Compound
| Compound ID |
CP0341704
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| Compound Name |
5-{4-[(1,4-trans)-4-(5-Fluoro-1H-indol-3-yl)-cyclohexyl]-piperazin-1-yl}-quinoline
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| Formula |
C27H29FN4
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| Molecular Weight |
428.555
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| Canonical SMILES |
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1
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| InChI |
InChI=1S/C27H29FN4/c28-20-8-11-26-23(17-20)24(18-30-26)19-6-9-21(10-7-19)31-13-15-32(16-14-31)27-5-1-4-25-22(27)3-2-12-29-25/h1-5,8,11-12,17-19,21,30H,6-7,9-10,13-16H2/t19-,21-
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| InChIKey |
ADAZNIZLARWFMJ-XUTJKUGGSA-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