General Information of the Compound
| Compound ID |
CP0388203
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| Compound Name |
(4aS,10R,10aS)-2'-amino-7-fluoro-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 |
C20H18F2N4O3
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| Molecular Weight |
400.385
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| Canonical SMILES |
CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3cc(F)c(cc23)-c2cccnc2F)C1=O
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| InChI |
InChI=1S/C20H18F2N4O3/c1-26-18(27)20(25-19(26)23)12-7-11(10-3-2-5-24-17(10)22)14(21)8-16(12)29-15-4-6-28-9-13(15)20/h2-3,5,7-8,13,15H,4,6,9H2,1H3,(H2,23,25)/t13-,15-,20-/m0/s1
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| InChIKey |
YSYRIKYHCXFDGV-KPHUOKFYSA-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