General Information of the Compound
| Compound ID |
CP0053378
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| Compound Name |
2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione
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| Structure |
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| Formula |
C19H27N5O3
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| Molecular Weight |
373.457
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
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| InChI |
InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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| InChIKey |
PGGCRGAETLNAJC-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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