General Information of the Compound
| Compound ID |
CP0579283
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| Compound Name |
(2S)-2-[[2-(5-amino-2-propan-2-yl-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 |
C19H23N7O3
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| Molecular Weight |
397.439
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| Canonical SMILES |
CC(C)n1nc(N)nc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1
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| InChI |
InChI=1S/C19H23N7O3/c1-10(2)26-18(23-19(21)24-26)14-9-25-6-7-28-15-8-12(29-11(3)16(20)27)4-5-13(15)17(25)22-14/h4-5,8-11H,6-7H2,1-3H3,(H2,20,27)(H2,21,24)/t11-/m0/s1
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| InChIKey |
HACNNPZTQXJOLZ-NSHDSACASA-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