General Information of the Compound
| Compound ID |
CP0970526
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| Compound Name |
cis-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxyethyl)cyclobutanecarboxamide
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| Formula |
C21H19F3N2O2
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| Molecular Weight |
388.389
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| Canonical SMILES |
O=C(NCCO)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C21H19F3N2O2/c22-14-3-1-11(2-4-14)19-18(12-7-13(8-12)21(28)25-5-6-27)16-9-15(23)10-17(24)20(16)26-19/h1-4,9-10,12-13,26-27H,5-8H2,(H,25,28)/t12-,13+
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| InChIKey |
FKGRBJRVBANPGT-BETUJISGSA-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