General Information of the Compound
| Compound ID |
CP0334908
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| Compound Name |
US9296734, 10
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| Structure |
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| Formula |
C21H14F6N6O
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| Molecular Weight |
480.372
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| Canonical SMILES |
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F
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| InChI |
InChI=1S/C21H14F6N6O/c22-9-20(5-16(21(25,26)27)34-19(29)33-20)13-4-11(1-2-14(13)23)32-18-17-12(15(24)8-31-18)3-10(6-28)7-30-17/h1-4,7-8,16H,5,9H2,(H2,29,33)(H,31,32)/t16-,20+/m0/s1
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| InChIKey |
LWXHQLQQXIEDPY-OXJNMPFZSA-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