General Information of the Compound
| Compound ID |
CP0568707
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| Compound Name |
2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propylsulfanyl]-1H-pyrimidin-6-one
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| Formula |
C14H14N6O2S
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| Molecular Weight |
330.373
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| Canonical SMILES |
O=c1ccnc(SCCCOc2ccc(cc2)-c2nnn[nH]2)[nH]1
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| InChI |
InChI=1S/C14H14N6O2S/c21-12-6-7-15-14(16-12)23-9-1-8-22-11-4-2-10(3-5-11)13-17-19-20-18-13/h2-7H,1,8-9H2,(H,15,16,21)(H,17,18,19,20)
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| InChIKey |
KXNSBQPZFRQETJ-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