General Information of the Compound
| Compound ID |
CP0405655
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| Compound Name |
US10028961, Compound 10
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| Structure |
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| Formula |
C18H23F3N6O
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| Molecular Weight |
396.417
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| Canonical SMILES |
C[C@@H](Nc1nc(NCC(C)(C)O)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C18H23F3N6O/c1-10(11-7-8-11)23-16-26-14(25-15(27-16)22-9-17(2,3)28)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11,28H,7-9H2,1-3H3,(H2,22,23,25,26,27)/t10-/m1/s1
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| InChIKey |
BMMLVEOASUDOHV-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