General Information of the Compound
| Compound ID |
CP0576041
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| Compound Name |
(2S)-2-[[2-[5-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]oxy]propanamide
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| Structure |
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| Formula |
C19H19F3N6O4
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| Molecular Weight |
452.393
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| Canonical SMILES |
C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1nc(CO)nn1CC(F)(F)F)C(N)=O
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| InChI |
InChI=1S/C19H19F3N6O4/c1-10(16(23)30)32-11-2-3-12-14(6-11)31-5-4-27-7-13(24-17(12)27)18-25-15(8-29)26-28(18)9-19(20,21)22/h2-3,6-7,10,29H,4-5,8-9H2,1H3,(H2,23,30)/t10-/m0/s1
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| InChIKey |
SGZRZHHSSNYBSI-JTQLQIEISA-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