General Information of the Compound
| Compound ID |
CP0388072
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| Compound Name |
(4aS,10R,10aS)-8-(3-chloro-5-fluorophenyl)-4a-methylspiro[1,3,4,10a-tetrahydropyrano[4,3-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C21H20ClFN2O3
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| Molecular Weight |
402.853
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| Canonical SMILES |
C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cc(F)cc(Cl)c1
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| InChI |
InChI=1S/C21H20ClFN2O3/c1-20-4-5-26-10-18(20)21(11-27-19(24)25-21)16-8-12(2-3-17(16)28-20)13-6-14(22)9-15(23)7-13/h2-3,6-9,18H,4-5,10-11H2,1H3,(H2,24,25)/t18-,20-,21-/m0/s1
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| InChIKey |
KANXYSRWEZDICF-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