General Information of the Compound
| Compound ID |
CP0368699
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| Compound Name |
2'-amino-6-(5-chloropyridin-3-yl)-2,2,3'-trimethylspiro[3H-thiochromene-4,5'-imidazole]-4'-one
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| Structure |
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| Formula |
C19H19ClN4OS
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| Molecular Weight |
386.908
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| Canonical SMILES |
CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncc(Cl)c2)C1=O
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| InChI |
InChI=1S/C19H19ClN4OS/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)
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| InChIKey |
CAPHIWIAVKZGOU-UHFFFAOYSA-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