General Information of the Compound
| Compound ID |
CP0664804
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| Compound Name |
N-(tetrahydro-2H-pyran-4-yl)-7-(vinylsulfonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C14H20N4O3S
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| Molecular Weight |
324.406
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| Canonical SMILES |
C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
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| InChI |
InChI=1S/C14H20N4O3S/c1-2-22(19,20)18-6-3-11-9-15-14(17-13(11)10-18)16-12-4-7-21-8-5-12/h2,9,12H,1,3-8,10H2,(H,15,16,17)
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| InChIKey |
URRXSHLGWLQOEC-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