General Information of the Compound
| Compound ID |
CP0475141
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| Compound Name |
4-(3-fluorophenyl)-6-methoxy-2-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxo-1,2-dihydroisoquinoline-3-carbonitrile
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| Structure |
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| Formula |
C23H24FN3O3
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| Molecular Weight |
409.461
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| Canonical SMILES |
COCCN(C)CCn1c(C#N)c(-c2cccc(F)c2)c2cc(OC)ccc2c1=O
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| InChI |
InChI=1S/C23H24FN3O3/c1-26(11-12-29-2)9-10-27-21(15-25)22(16-5-4-6-17(24)13-16)20-14-18(30-3)7-8-19(20)23(27)28/h4-8,13-14H,9-12H2,1-3H3
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| InChIKey |
WKPNRUNTHWRFNV-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound