General Information of the Compound
| Compound ID |
CP0970400
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(1-hydroxycyclopentyl)methyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C26H27F3N2O2
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| Molecular Weight |
456.508
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| Canonical SMILES |
O=C(NCC1(O)CCCC1)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C26H27F3N2O2/c27-18-5-3-16(4-6-18)23-20(21-12-19(28)13-22(29)24(21)31-23)11-15-9-17(10-15)25(32)30-14-26(33)7-1-2-8-26/h3-6,12-13,15,17,31,33H,1-2,7-11,14H2,(H,30,32)
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| InChIKey |
XOKNHAAKHOALMR-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