General Information of the Compound
| Compound ID |
CP0953039
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(3S)-3-hydroxy-1-piperidyl]methanone
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| Formula |
C24H23F3N2O2
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| Molecular Weight |
428.454
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCC[C@H](O)C1
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| InChI |
InChI=1S/C24H23F3N2O2/c25-16-5-3-13(4-6-16)22-21(19-10-17(26)11-20(27)23(19)28-22)14-8-15(9-14)24(31)29-7-1-2-18(30)12-29/h3-6,10-11,14-15,18,28,30H,1-2,7-9,12H2/t14-,15-,18-/m0/s1
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| InChIKey |
WNHZJISAECMTTK-MPGHIAIKSA-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