General Information of the Compound
| Compound ID |
CP0951093
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(3S,4S)-4-hydroxy-3-methyl-1-piperidyl]methanone
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| Formula |
C25H25F3N2O2
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| Molecular Weight |
442.481
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| Canonical SMILES |
C[C@H]1CN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CC[C@@H]1O
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| InChI |
InChI=1S/C25H25F3N2O2/c1-13-12-30(7-6-21(13)31)25(32)16-8-15(9-16)22-19-10-18(27)11-20(28)24(19)29-23(22)14-2-4-17(26)5-3-14/h2-5,10-11,13,15-16,21,29,31H,6-9,12H2,1H3/t13-,15-,16-,21-/m0/s1
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| InChIKey |
BZXOFCLXOAHZLT-CBYWYSCWSA-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