General Information of the Compound
| Compound ID |
CP0970397
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(3,3-difluoro-2-hydroxy-propyl)cyclobutanecarboxamide
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| Structure |
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| Formula |
C23H21F5N2O2
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| Molecular Weight |
452.423
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| Canonical SMILES |
O=C(NCC(O)C(F)F)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C23H21F5N2O2/c24-14-3-1-12(2-4-14)20-16(17-8-15(25)9-18(26)21(17)30-20)7-11-5-13(6-11)23(32)29-10-19(31)22(27)28/h1-4,8-9,11,13,19,22,30-31H,5-7,10H2,(H,29,32)
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| InChIKey |
NFPGEUNYKVOJLX-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