General Information of the Compound
| Compound ID |
CP0577781
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| Compound Name |
US8993565, 13
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| Structure |
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| Formula |
C16H16F2N4O3
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| Molecular Weight |
350.325
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| Canonical SMILES |
Fc1cc(F)cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
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| InChI |
InChI=1S/C16H16F2N4O3/c17-10-5-11(18)7-12(6-10)19-15(23)8-13-20-14(9-16(24)21-13)22-1-3-25-4-2-22/h5-7,9H,1-4,8H2,(H,19,23)(H,20,21,24)
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| InChIKey |
PRZDSIVADZZGMB-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