General Information of the Compound
| Compound ID |
CP0960795
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| Compound Name |
trans-N-(1-cyano-2-hydroxy-ethyl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarboxamide
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| Formula |
C22H18F3N3O2
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| Molecular Weight |
413.399
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| Canonical SMILES |
N#CC(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C22H18F3N3O2/c23-14-3-1-11(2-4-14)20-19(17-7-15(24)8-18(25)21(17)28-20)12-5-13(6-12)22(30)27-16(9-26)10-29/h1-4,7-8,12-13,16,28-29H,5-6,10H2,(H,27,30)/t12-,13-,16?
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| InChIKey |
DFJPMADCYFVWSU-RRNIMWOJSA-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