General Information of the Compound
| Compound ID |
CP0564017
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| Compound Name |
5-(3-bromoanilino)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C14H12BrNO4
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| Molecular Weight |
338.157
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| Canonical SMILES |
COC1=C(OC)C(=O)C(Nc2cccc(Br)c2)=CC1=O
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| InChI |
InChI=1S/C14H12BrNO4/c1-19-13-11(17)7-10(12(18)14(13)20-2)16-9-5-3-4-8(15)6-9/h3-7,16H,1-2H3
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| InChIKey |
LGOLIDDZNWEXAN-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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