General Information of the Compound
| Compound ID |
CP0121487
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| Compound Name |
(4aS,10S,10aR)-8-(3-chloro-5-fluorophenyl)-4a-methylspiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine
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| Structure |
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| Formula |
C21H20ClFN2O2S
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| Molecular Weight |
418.921
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| Canonical SMILES |
C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cc(F)cc(Cl)c1
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| InChI |
InChI=1S/C21H20ClFN2O2S/c1-20-5-2-6-26-18(20)21(11-28-19(24)25-21)16-9-12(3-4-17(16)27-20)13-7-14(22)10-15(23)8-13/h3-4,7-10,18H,2,5-6,11H2,1H3,(H2,24,25)/t18-,20-,21-/m0/s1
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| InChIKey |
YYSIZDVURBDWGB-JBACZVJFSA-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