General Information of the Compound
| Compound ID |
CP0953040
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(4-hydroxy-3,3-dimethyl-1-piperidyl)methanone
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| Formula |
C26H27F3N2O2
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| Molecular Weight |
456.508
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| Canonical SMILES |
CC1(C)CN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CCC1O
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| InChI |
InChI=1S/C26H27F3N2O2/c1-26(2)13-31(8-7-21(26)32)25(33)16-9-15(10-16)22-19-11-18(28)12-20(29)24(19)30-23(22)14-3-5-17(27)6-4-14/h3-6,11-12,15-16,21,30,32H,7-10,13H2,1-2H3/t15-,16-,21?
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| InChIKey |
QROGDXSLRHIDNF-CZEDARRBSA-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