General Information of the Compound
| Compound ID |
CP0968820
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| Compound Name |
cis-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)cyclobutanecarboxamide
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| Formula |
C21H16F6N2O
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| Molecular Weight |
426.36
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| Canonical SMILES |
O=C(NCC(F)(F)F)[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C21H16F6N2O/c22-13-3-1-10(2-4-13)18-17(15-7-14(23)8-16(24)19(15)29-18)11-5-12(6-11)20(30)28-9-21(25,26)27/h1-4,7-8,11-12,29H,5-6,9H2,(H,28,30)/t11-,12+
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| InChIKey |
QFPAQZNDGCUTIR-TXEJJXNPSA-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