General Information of the Compound
| Compound ID |
CP0531652
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| Compound Name |
US8802711, 45
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| Structure |
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| Formula |
C19H19FN4O
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| Molecular Weight |
338.386
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| Canonical SMILES |
Fc1ccc(cc1)[C@H]1CCC(C1)NC(=O)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C19H19FN4O/c20-14-7-4-12(5-8-14)13-6-9-15(10-13)22-19(25)23-17-2-1-3-18-16(17)11-21-24-18/h1-5,7-8,11,13,15H,6,9-10H2,(H,21,24)(H2,22,23,25)/t13-,15?/m0/s1
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| InChIKey |
FVKLJXVKEMVGAL-CFMCSPIPSA-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