General Information of the Compound
| Compound ID |
CP0222488
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| Compound Name |
N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)propanamide
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| Structure |
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| Formula |
C21H22N4O3S
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| Molecular Weight |
410.499
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| Canonical SMILES |
O=C(CCc1cccnc1)N(Cc1cccs1)Cc1nc2CCOCc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H22N4O3S/c26-20(6-5-15-3-1-8-22-11-15)25(12-16-4-2-10-29-16)13-19-23-18-7-9-28-14-17(18)21(27)24-19/h1-4,8,10-11H,5-7,9,12-14H2,(H,23,24,27)
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| InChIKey |
WEHBTALITPPXOG-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