General Information of the Compound
| Compound ID |
CP0121140
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| Compound Name |
3-(4-hydroxyphenyl)-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 |
C22H23N3O4S
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| Molecular Weight |
425.51
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| Canonical SMILES |
Oc1ccc(CCC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)cc1
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| InChI |
InChI=1S/C22H23N3O4S/c26-16-6-3-15(4-7-16)5-8-21(27)25(12-17-2-1-11-30-17)13-20-23-19-9-10-29-14-18(19)22(28)24-20/h1-4,6-7,11,26H,5,8-10,12-14H2,(H,23,24,28)
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| InChIKey |
JDGFZEMTYNYUDO-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