General Information of the Compound
| Compound ID |
CP0529948
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| Compound Name |
US9242943, 15
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| Structure |
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| Formula |
C16H22FN3O
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| Molecular Weight |
291.37
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| Canonical SMILES |
C[C@]1(COCC(N)=N1)c1cc(NC2CCCC2)ccc1F
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| InChI |
InChI=1S/C16H22FN3O/c1-16(10-21-9-15(18)20-16)13-8-12(6-7-14(13)17)19-11-4-2-3-5-11/h6-8,11,19H,2-5,9-10H2,1H3,(H2,18,20)/t16-/m0/s1
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| InChIKey |
SNBVGRNXFMZUNZ-INIZCTEOSA-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