General Information of the Compound
| Compound ID |
CP0968580
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(3S,4S)-4-[(dimethylamino)methyl]-3-hydroxy-1-piperidyl]methanone
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| Formula |
C27H30F3N3O2
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| Molecular Weight |
485.55
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| Canonical SMILES |
CN(C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C[C@H]1O
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| InChI |
InChI=1S/C27H30F3N3O2/c1-32(2)13-16-7-8-33(14-23(16)34)27(35)18-9-17(10-18)24-21-11-20(29)12-22(30)26(21)31-25(24)15-3-5-19(28)6-4-15/h3-6,11-12,16-18,23,31,34H,7-10,13-14H2,1-2H3/t16-,17-,18-,23+/m0/s1
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| InChIKey |
JPIOHUBWNLFDFQ-DWKCODDLSA-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