General Information of the Compound
| Compound ID |
CP0418107
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| Compound Name |
US9206164, 84
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| Structure |
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| Formula |
C23H21F3N4O2
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| Molecular Weight |
442.441
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2F)-c2nc3c(F)c(F)ccc3[nH]2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C23H21F3N4O2/c1-3-17-14(10-20(31)32)19(4-2)30(29-17)11-13-6-5-12(9-16(13)25)23-27-18-8-7-15(24)21(26)22(18)28-23/h5-9H,3-4,10-11H2,1-2H3,(H,27,28)(H,31,32)
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| InChIKey |
UNYDHYLNOGJEJM-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