General Information of the Compound
| Compound ID |
CP0500381
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| Compound Name |
US9199981, F25
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| Structure |
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| Formula |
C22H18F3N5O3
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| Molecular Weight |
457.412
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1CC(O)(C1)C(F)(F)F
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| InChI |
InChI=1S/C22H18F3N5O3/c1-12-5-6-13(18-28-20(33-29-18)14-9-21(32,10-14)22(23,24)25)8-15(12)27-19(31)16-11-26-17-4-2-3-7-30(16)17/h2-8,11,14,32H,9-10H2,1H3,(H,27,31)
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| InChIKey |
GSZAAFHRPAZVGN-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