General Information of the Compound
| Compound ID |
CP0951091
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-1-piperidyl]methanone
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| Formula |
C25H25F3N2O3
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| Molecular Weight |
458.48
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CC[C@H](CO)[C@H](O)C1
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| InChI |
InChI=1S/C25H25F3N2O3/c26-17-3-1-13(2-4-17)23-22(19-9-18(27)10-20(28)24(19)29-23)15-7-16(8-15)25(33)30-6-5-14(12-31)21(32)11-30/h1-4,9-10,14-16,21,29,31-32H,5-8,11-12H2/t14-,15-,16-,21-/m1/s1
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| InChIKey |
JVGYJNYKKQMHQP-WSOZGMELSA-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