General Information of the Compound
| Compound ID |
CP0312779
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| Compound Name |
US9296734, 18
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| Structure |
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| Formula |
C20H14F8N6O
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| Molecular Weight |
506.357
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| Canonical SMILES |
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3nc(cnc23)C(F)(F)F)ccc1F
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| InChI |
InChI=1S/C20H14F8N6O/c21-8-18(6-14(20(26,27)28)35-17(29)34-18)10-5-9(1-2-11(10)22)32-16-15-12(3-4-30-16)33-13(7-31-15)19(23,24)25/h1-5,7,14H,6,8H2,(H2,29,34)(H,30,32)/t14-,18+/m0/s1
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| InChIKey |
IURFYSRDINCJOH-KBXCAEBGSA-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