General Information of the Compound
| Compound ID |
CP0098784
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| Compound Name |
N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine
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| Synonyms |
E 55888
E-55888
E55888
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| Structure |
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| Formula |
C16H23N3
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| Molecular Weight |
257.381
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| Canonical SMILES |
CN(C)CCc1cccc(c1)-c1c(C)nn(C)c1C
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| InChI |
InChI=1S/C16H23N3/c1-12-16(13(2)19(5)17-12)15-8-6-7-14(11-15)9-10-18(3)4/h6-8,11H,9-10H2,1-5H3
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| InChIKey |
MFUWRMRKXKCSPL-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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Clinical Information about the Compound