General Information of the Compound
| Compound ID |
CP0419448
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| Compound Name |
US9242943, 29
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| Structure |
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| Formula |
C21H19F3N4O2
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| Molecular Weight |
416.403
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| Canonical SMILES |
C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OC(F)F)cnc23)ccc1F
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| InChI |
InChI=1S/C21H19F3N4O2/c1-21(11-29-10-18(25)28-21)15-8-13(5-6-16(15)22)27-17-4-2-3-12-7-14(30-20(23)24)9-26-19(12)17/h2-9,20,27H,10-11H2,1H3,(H2,25,28)/t21-/m0/s1
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| InChIKey |
CHPYWNCYTLASBD-NRFANRHFSA-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