General Information of the Compound
| Compound ID |
CP0157898
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| Compound Name |
(3E)-3-[(2,4-dipropoxyphenyl)methylidene]-1H-indol-2-one
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| Structure |
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| Formula |
C21H23NO3
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| Molecular Weight |
337.419
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| Canonical SMILES |
CCCOc1ccc(\C=C2\C(=O)Nc3ccccc23)c(OCCC)c1
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| InChI |
InChI=1S/C21H23NO3/c1-3-11-24-16-10-9-15(20(14-16)25-12-4-2)13-18-17-7-5-6-8-19(17)22-21(18)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,23)/b18-13+
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| InChIKey |
CODRRTHDNKXPKO-QGOAFFKASA-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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