General Information of the Compound
| Compound ID |
CP0414136
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| Compound Name |
US9303045, 64
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| Structure |
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| Formula |
C18H22F2N4O2
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| Molecular Weight |
364.396
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| Canonical SMILES |
CN1C2COCC1CC(C2)NC(=O)c1cn(CC(F)F)c2ncccc12
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| InChI |
InChI=1S/C18H22F2N4O2/c1-23-12-5-11(6-13(23)10-26-9-12)22-18(25)15-7-24(8-16(19)20)17-14(15)3-2-4-21-17/h2-4,7,11-13,16H,5-6,8-10H2,1H3,(H,22,25)
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| InChIKey |
LMBGCAZGPAOQNX-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