General Information of the Compound
| Compound ID |
CP0969796
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| Compound Name |
cis-2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]acetamide
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| Formula |
C21H20F3N3O
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| Molecular Weight |
387.405
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| Canonical SMILES |
NC(=O)CNC[C@H]1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C21H20F3N3O/c22-14-3-1-12(2-4-14)20-19(13-5-11(6-13)9-26-10-18(25)28)16-7-15(23)8-17(24)21(16)27-20/h1-4,7-8,11,13,26-27H,5-6,9-10H2,(H2,25,28)/t11-,13+
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| InChIKey |
PHFXFXHTZZXZSW-BJHJDKERSA-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