General Information of the Compound
| Compound ID |
CP0953189
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| Compound Name |
N-[(3,3-difluorocyclobutyl)methyl]-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C25H23F5N2O
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| Molecular Weight |
462.462
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| Canonical SMILES |
O=C(NCC1CC(F)(F)C1)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C25H23F5N2O/c26-17-3-1-15(2-4-17)22-19(20-8-18(27)9-21(28)23(20)32-22)7-13-5-16(6-13)24(33)31-12-14-10-25(29,30)11-14/h1-4,8-9,13-14,16,32H,5-7,10-12H2,(H,31,33)
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| InChIKey |
QWDDXGFHLIBDJK-UHFFFAOYSA-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