General Information of the Compound
| Compound ID |
CP0553854
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| Compound Name |
(4aR,10R,10aR)-8-(5-chloropyridin-3-yl)spiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine
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| Structure |
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| Formula |
C19H18ClN3O2S
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| Molecular Weight |
387.892
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| Canonical SMILES |
NC1=N[C@]2(CS1)[C@@H]1COCC[C@H]1Oc1ccc(cc21)-c1cncc(Cl)c1
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| InChI |
InChI=1S/C19H18ClN3O2S/c20-13-5-12(7-22-8-13)11-1-2-16-14(6-11)19(10-26-18(21)23-19)15-9-24-4-3-17(15)25-16/h1-2,5-8,15,17H,3-4,9-10H2,(H2,21,23)/t15-,17-,19+/m1/s1
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| InChIKey |
SPXWEKUGALJTSG-SUMDDJOVSA-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