General Information of the Compound
| Compound ID |
CP0537892
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| Compound Name |
6-(4-cyano)-3-[2-(4-morpholinylmethyl)-6-quinolinyl]thieno-[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C27H21N5O2S
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| Molecular Weight |
479.565
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| Canonical SMILES |
O=c1n(cnc2cc(sc12)-c1ccc(cc1)C#N)-c1ccc2nc(CN3CCOCC3)ccc2c1
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| InChI |
InChI=1S/C27H21N5O2S/c28-15-18-1-3-19(4-2-18)25-14-24-26(35-25)27(33)32(17-29-24)22-7-8-23-20(13-22)5-6-21(30-23)16-31-9-11-34-12-10-31/h1-8,13-14,17H,9-12,16H2
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| InChIKey |
USYINAXJRSQZMB-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