General Information of the Compound
| Compound ID |
CP0967813
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| Compound Name |
trans-1-[1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]-2-piperidyl]ethanone
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| Formula |
C26H25F3N2O2
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| Molecular Weight |
454.492
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| Canonical SMILES |
CC(=O)C1CCCCN1C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C26H25F3N2O2/c1-14(32)22-4-2-3-9-31(22)26(33)17-10-16(11-17)23-20-12-19(28)13-21(29)25(20)30-24(23)15-5-7-18(27)8-6-15/h5-8,12-13,16-17,22,30H,2-4,9-11H2,1H3/t16-,17-,22?
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| InChIKey |
WYQPZFZGWVFRGU-VHPWLNBFSA-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