General Information of the Compound
| Compound ID |
CP0969593
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[3-(1-hydroxy-1-methyl-ethyl)azetidin-1-yl]methanone
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| Formula |
C25H25F3N2O2
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| Molecular Weight |
442.481
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| Canonical SMILES |
CC(C)(O)C1CN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C1
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| InChI |
InChI=1S/C25H25F3N2O2/c1-25(2,32)16-11-30(12-16)24(31)15-7-14(8-15)21-19-9-18(27)10-20(28)23(19)29-22(21)13-3-5-17(26)6-4-13/h3-6,9-10,14-16,29,32H,7-8,11-12H2,1-2H3/t14-,15-
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| InChIKey |
FFPPQJZURUOARJ-SHTZXODSSA-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