General Information of the Compound
| Compound ID |
CP0109272
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| Compound Name |
(Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile
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| Structure |
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| Formula |
C20H20BrN3
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| Molecular Weight |
382.305
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(\C=C(/C#N)c2ccccc2Br)cc1
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| InChI |
InChI=1S/C20H20BrN3/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21/h2-9,14H,10-13H2,1H3/b17-14+
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| InChIKey |
ZJMDTBBCNMGFMS-SAPNQHFASA-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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