General Information of the Compound
| Compound ID |
CP0160657
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| Compound Name |
1-[4-[3-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]triazol-4-yl]butyl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H27N5O3
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| Molecular Weight |
409.49
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| Canonical SMILES |
O=c1ccn(CCCCc2cnnn2CCc2cccc(OCC3CC3)c2)c(=O)[nH]1
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| InChI |
InChI=1S/C22H27N5O3/c28-21-10-12-26(22(29)24-21)11-2-1-5-19-15-23-25-27(19)13-9-17-4-3-6-20(14-17)30-16-18-7-8-18/h3-4,6,10,12,14-15,18H,1-2,5,7-9,11,13,16H2,(H,24,28,29)
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| InChIKey |
DAEJBNOQVMAMEV-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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