General Information of the Compound
| Compound ID |
CP0401775
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| Compound Name |
US10028961, Compound 303
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| Structure |
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| Formula |
C19H24F3N7O
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| Molecular Weight |
423.443
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| Canonical SMILES |
C[C@@H](Nc1nc(NCC(C)(C)C(N)=O)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C19H24F3N7O/c1-10(11-7-8-11)25-17-28-14(12-5-4-6-13(26-12)19(20,21)22)27-16(29-17)24-9-18(2,3)15(23)30/h4-6,10-11H,7-9H2,1-3H3,(H2,23,30)(H2,24,25,27,28,29)/t10-/m1/s1
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| InChIKey |
XTYWTUUCWNFNQP-SNVBAGLBSA-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