General Information of the Compound
| Compound ID |
CP0544630
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| Compound Name |
8-methyl-7-prop-1-ynyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C17H14N4OS
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| Molecular Weight |
322.393
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| Canonical SMILES |
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
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| InChI |
InChI=1S/C17H14N4OS/c1-3-5-12-6-7-13-15(11(12)2)20-14(21-16(13)22)10-23-17-18-8-4-9-19-17/h4,6-9H,10H2,1-2H3,(H,20,21,22)
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| InChIKey |
VRECINGNBPANGK-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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