General Information of the Compound
| Compound ID |
CP0565273
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| Compound Name |
4-[4-(3,6-dihydro-2H-pyran-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]-1H-indole
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| Structure |
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| Formula |
C21H21N3O3S
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| Molecular Weight |
395.484
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| Canonical SMILES |
CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)C1=CCOCC1
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| InChI |
InChI=1S/C21H21N3O3S/c1-28(25,26)21(8-9-21)19-13-18(14-6-11-27-12-7-14)23-20(24-19)16-3-2-4-17-15(16)5-10-22-17/h2-6,10,13,22H,7-9,11-12H2,1H3
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| InChIKey |
BGTJHXYQADHXJK-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