General Information of the Compound
| Compound ID |
CP0234528
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| Compound Name |
US10005782, Compound 161
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| Structure |
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| Formula |
C23H20F3N5O2
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| Molecular Weight |
455.44
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| Canonical SMILES |
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H20F3N5O2/c1-2-18(32)29-16-6-4-3-5-15(16)17-11-12-28-22-19(21(27)33)20(30-31(17)22)13-7-9-14(10-8-13)23(24,25)26/h2-10,17,28H,1,11-12H2,(H2,27,33)(H,29,32)
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| InChIKey |
MFPHQWFDPPWIFC-UHFFFAOYSA-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