General Information of the Compound
| Compound ID |
CP0222487
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| Compound Name |
3-(2-fluorophenyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide
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| Structure |
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| Formula |
C22H22FN3O3S
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| Molecular Weight |
427.501
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| Canonical SMILES |
Fc1ccccc1CCC(=O)N(Cc1cccs1)Cc1nc2CCOCc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H22FN3O3S/c23-18-6-2-1-4-15(18)7-8-21(27)26(12-16-5-3-11-30-16)13-20-24-19-9-10-29-14-17(19)22(28)25-20/h1-6,11H,7-10,12-14H2,(H,24,25,28)
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| InChIKey |
HVPUASJORDGFQX-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