General Information of the Compound
| Compound ID |
CP0038814
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| Compound Name |
2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
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| Structure |
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| Formula |
C14H13ClN2OS
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| Molecular Weight |
292.791
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| Canonical SMILES |
Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
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| InChI |
InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)
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| InChIKey |
HKDAECHYHSQLRG-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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