General Information of the Compound
| Compound ID |
CP0529538
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| Compound Name |
(4aR,10S,10aR)-2'-amino-8-(2-fluoropyridin-3-yl)-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 |
C20H19FN4O3
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| Molecular Weight |
382.395
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| Canonical SMILES |
CN1C(=N)N[C@]2([C@@H]3COCC[C@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O
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| InChI |
InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-9-11(12-3-2-7-23-17(12)21)4-5-15(13)28-16-6-8-27-10-14(16)20/h2-5,7,9,14,16H,6,8,10H2,1H3,(H2,22,24)/t14-,16-,20-/m1/s1
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| InChIKey |
DWEUDIDNAOSEBW-AKCHCHLHSA-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