General Information of the Compound
| Compound ID |
CP0488714
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| Compound Name |
US9012651, 283
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| Structure |
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| Formula |
C18H21F3N2O2
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| Molecular Weight |
354.372
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| Canonical SMILES |
COc1cc(cc(F)c1F)-c1ccc(F)c(CN[C@@H](CO)C(C)C)n1
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| InChI |
InChI=1S/C18H21F3N2O2/c1-10(2)16(9-24)22-8-15-12(19)4-5-14(23-15)11-6-13(20)18(21)17(7-11)25-3/h4-7,10,16,22,24H,8-9H2,1-3H3/t16-/m0/s1
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| InChIKey |
GGRXTIMHWNGHLK-INIZCTEOSA-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