General Information of the Compound
| Compound ID |
CP0450643
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| Compound Name |
US10028961, Compound 47
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| Structure |
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| Formula |
C17H19F3N6O2
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| Molecular Weight |
396.373
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C(O)=O)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C17H19F3N6O2/c1-8(10-6-7-10)21-15-24-13(25-16(26-15)22-9(2)14(27)28)11-4-3-5-12(23-11)17(18,19)20/h3-5,8-10H,6-7H2,1-2H3,(H,27,28)(H2,21,22,24,25,26)/t8-,9-/m1/s1
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| InChIKey |
OVEVKHHIEURDIP-RKDXNWHRSA-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