General Information of the Compound
| Compound ID |
CP0341118
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| Compound Name |
US9073922, 215
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| Structure |
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| Formula |
C21H21FN4O2
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| Molecular Weight |
380.423
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| Canonical SMILES |
CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC
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| InChI |
InChI=1S/C21H21FN4O2/c1-23-21(27)26-9-6-13(7-10-26)18-12-17-15(5-8-24-20(17)25-18)16-11-14(22)3-4-19(16)28-2/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,23,27)(H,24,25)
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| InChIKey |
ZPUBPIPZFAUDSS-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