General Information of the Compound
| Compound ID |
CP0508954
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| Compound Name |
US9242943, 19
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| Structure |
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| Formula |
C16H22FN3O2
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| Molecular Weight |
307.369
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| Canonical SMILES |
C[C@]1(COCC(N)=N1)c1cc(N[C@H]2CCC[C@@H]2O)ccc1F
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| InChI |
InChI=1S/C16H22FN3O2/c1-16(9-22-8-15(18)20-16)11-7-10(5-6-12(11)17)19-13-3-2-4-14(13)21/h5-7,13-14,19,21H,2-4,8-9H2,1H3,(H2,18,20)/t13-,14-,16-/m0/s1
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| InChIKey |
RWCZTUDBYGQJTK-DZKIICNBSA-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