General Information of the Compound
| Compound ID |
CP0351134
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| Compound Name |
US9073922, 29
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| Structure |
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| Formula |
C20H22FN3O
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| Molecular Weight |
339.414
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| Canonical SMILES |
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
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| InChI |
InChI=1S/C20H22FN3O/c1-24-9-6-13(7-10-24)18-12-17-15(5-8-22-20(17)23-18)16-4-3-14(21)11-19(16)25-2/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23)
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| InChIKey |
MYGCBFRVFDUTBD-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