General Information of the Compound
| Compound ID |
CP0458938
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| Compound Name |
(4aS,10R,10aS)-2'-amino-8-bromo-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
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| Structure |
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| Formula |
C15H16BrN3O3
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| Molecular Weight |
366.215
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| Canonical SMILES |
CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(Br)cc23)C1=O
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| InChI |
InChI=1S/C15H16BrN3O3/c1-19-13(20)15(18-14(19)17)9-6-8(16)2-3-11(9)22-12-4-5-21-7-10(12)15/h2-3,6,10,12H,4-5,7H2,1H3,(H2,17,18)/t10-,12-,15-/m0/s1
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| InChIKey |
OZENSZJUVFBIIA-WBIUFABUSA-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