General Information of the Compound
| Compound ID |
CP0490545
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| Compound Name |
US8802711, 54
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| Structure |
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| Formula |
C20H18F2N4O
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| Molecular Weight |
368.387
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| Canonical SMILES |
FC1(F)[C@@H]2[C@H]1[C@H](C[C@H]2NC(=O)Nc1cccc2[nH]ncc12)c1ccccc1
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| InChI |
InChI=1S/C20H18F2N4O/c21-20(22)17-12(11-5-2-1-3-6-11)9-16(18(17)20)25-19(27)24-14-7-4-8-15-13(14)10-23-26-15/h1-8,10,12,16-18H,9H2,(H,23,26)(H2,24,25,27)/t12-,16-,17-,18+/m1/s1
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| InChIKey |
ZICZWKKYCQOTAD-BTPDRXCOSA-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