General Information of the Compound
| Compound ID |
CP0147260
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| Compound Name |
2-chloro-5-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)-N-(2-ethylhexyl)benzamide
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| Structure |
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| Formula |
C18H23ClN4O3
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| Molecular Weight |
378.86
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| Canonical SMILES |
CCCCC(CC)CNC(=O)c1cc(ccc1Cl)-n1ncc(=O)[nH]c1=O
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| InChI |
InChI=1S/C18H23ClN4O3/c1-3-5-6-12(4-2)10-20-17(25)14-9-13(7-8-15(14)19)23-18(26)22-16(24)11-21-23/h7-9,11-12H,3-6,10H2,1-2H3,(H,20,25)(H,22,24,26)
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| InChIKey |
QNBONRHBWWFPLO-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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