General Information of the Compound
| Compound ID |
CP0969248
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| Compound Name |
2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(1S)-2,2,2-trifluoro-1-(hydroxymethyl)ethyl]acetamide
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| Formula |
C23H20F6N2O2
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| Molecular Weight |
470.413
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| Canonical SMILES |
O=C(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)N[C@@H](CO)C(F)(F)F
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| InChI |
InChI=1S/C23H20F6N2O2/c24-14-3-1-12(2-4-14)21-20(16-8-15(25)9-17(26)22(16)31-21)13-5-11(6-13)7-19(33)30-18(10-32)23(27,28)29/h1-4,8-9,11,13,18,31-32H,5-7,10H2,(H,30,33)/t11?,13?,18-/m0/s1
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| InChIKey |
RNMGPIDWIWACFS-LPSAFJIBSA-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