General Information of the Compound
| Compound ID |
CP0085342
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| Compound Name |
2-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
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| Structure |
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| Formula |
C20H28FN5O3
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| Molecular Weight |
405.474
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| Canonical SMILES |
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
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| InChI |
InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3
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| InChIKey |
SXCVVYUSUGUSMW-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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