General Information of the Compound
| Compound ID |
CP0868629
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| Compound Name |
US9278960, 4-83
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| Structure |
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| Formula |
C19H18F3N5O2
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| Molecular Weight |
405.38
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| Canonical SMILES |
NC(=O)c1cc(-c2cn[nH]c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1
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| InChI |
InChI=1S/C19H18F3N5O2/c20-19(21,22)17-10-27(3-4-29-17)9-11-1-2-13-14(12-7-24-25-8-12)6-16(18(23)28)26-15(13)5-11/h1-2,5-8,17H,3-4,9-10H2,(H2,23,28)(H,24,25)/t17-/m1/s1
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| InChIKey |
CICUFFDWOJXMLM-QGZVFWFLSA-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