General Information of the Compound
| Compound ID |
CP0450746
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| Compound Name |
US9199981, F102
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| Structure |
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| Formula |
C23H19F4N5O3
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| Molecular Weight |
489.429
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| Canonical SMILES |
Cc1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1C)-c1noc(COC2CC(F)(F)C2(F)F)n1
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| InChI |
InChI=1S/C23H19F4N5O3/c1-12-5-6-32-16(10-28-18(32)7-12)21(33)29-15-8-14(4-3-13(15)2)20-30-19(35-31-20)11-34-17-9-22(24,25)23(17,26)27/h3-8,10,17H,9,11H2,1-2H3,(H,29,33)
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| InChIKey |
JCQZLSKAJRPHGT-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