General Information of the Compound
| Compound ID |
CP0486635
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| Compound Name |
(1R,4aR,10R,10aR)-2'-amino-8-(2-fluoropyridin-3-yl)-1,3'-dimethylspiro[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 |
C21H21FN4O3
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| Molecular Weight |
396.422
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| Canonical SMILES |
C[C@H]1OCC[C@H]2Oc3ccc(cc3[C@]3(N=C(N)N(C)C3=O)[C@H]12)-c1cccnc1F
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| InChI |
InChI=1S/C21H21FN4O3/c1-11-17-16(7-9-28-11)29-15-6-5-12(13-4-3-8-24-18(13)22)10-14(15)21(17)19(27)26(2)20(23)25-21/h3-6,8,10-11,16-17H,7,9H2,1-2H3,(H2,23,25)/t11-,16-,17-,21+/m1/s1
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| InChIKey |
MQRUEXQPTDUCPL-RSAPIUNTSA-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