General Information of the Compound
| Compound ID |
CP0116102
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| Compound Name |
(4aR,10S,10aS)-2'-amino-8-(2-fluoropyridin-3-yl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-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]3OCCC[C@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O
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| InChI |
InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20+/m1/s1
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| InChIKey |
GZRDWAATBYKNGI-QINHECLXSA-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