General Information of the Compound
| Compound ID |
CP0545811
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| Compound Name |
US9315518, 14-6
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| Structure |
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| Formula |
C22H21F2N5O3
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| Molecular Weight |
441.438
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| Canonical SMILES |
Cn1c2nc(ccc2n(CC2CC2(F)F)c1=O)C1=CC2CN(CC2C1)C(=O)c1ncco1
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| InChI |
InChI=1S/C22H21F2N5O3/c1-27-18-17(29(21(27)31)11-15-8-22(15,23)24)3-2-16(26-18)12-6-13-9-28(10-14(13)7-12)20(30)19-25-4-5-32-19/h2-6,13-15H,7-11H2,1H3
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| InChIKey |
RRUVLKVKZHRSAI-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