General Information of the Compound
| Compound ID |
CP0953038
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)-3-azabicyclo[2.2.1]heptan-3-yl]methanone
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| Formula |
C26H25F3N2O2
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| Molecular Weight |
454.492
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1C2CCC(C2)C1CO
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| InChI |
InChI=1S/C26H25F3N2O2/c27-17-4-1-13(2-5-17)24-23(20-10-18(28)11-21(29)25(20)30-24)15-7-16(8-15)26(33)31-19-6-3-14(9-19)22(31)12-32/h1-2,4-5,10-11,14-16,19,22,30,32H,3,6-9,12H2/t14?,15-,16-,19?,22?
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| InChIKey |
MTCHNDJIFZHRKU-HLFUYGPYSA-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