General Information of the Compound
| Compound ID |
CP0970302
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
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| Formula |
C25H21F3N4O
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| Molecular Weight |
450.464
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CC(n2cccn2)C1
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| InChI |
InChI=1S/C25H21F3N4O/c26-17-4-2-14(3-5-17)23-22(20-10-18(27)11-21(28)24(20)30-23)15-8-16(9-15)25(33)31-12-19(13-31)32-7-1-6-29-32/h1-7,10-11,15-16,19,30H,8-9,12-13H2/t15-,16-
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| InChIKey |
AHRHYWUITMXOBS-WKILWMFISA-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