General Information of the Compound
| Compound ID |
CP0468040
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| Compound Name |
US9012651, 55
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| Structure |
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| Formula |
C20H27FN4O2
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| Molecular Weight |
374.46
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccnc(c1)N1CCOCC1
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| InChI |
InChI=1S/C20H27FN4O2/c1-14(2)19(13-26)23-12-18-16(21)3-4-17(24-18)15-5-6-22-20(11-15)25-7-9-27-10-8-25/h3-6,11,14,19,23,26H,7-10,12-13H2,1-2H3/t19-/m0/s1
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| InChIKey |
LRVOTFSZTLNGNU-IBGZPJMESA-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