General Information of the Compound
| Compound ID |
CP0459651
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| Compound Name |
2-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)phenoxy)propyl)-2,3-dihydro-1H-benzo[de]isoquinoline
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| Structure |
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| Formula |
C33H27FN4O
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| Molecular Weight |
514.604
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| Canonical SMILES |
Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2Cc3cccc4cccc(C2)c34)cc1
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| InChI |
InChI=1S/C33H27FN4O/c34-26-11-16-31-30(20-26)36-33(29-10-1-2-17-35-29)38(31)27-12-14-28(15-13-27)39-19-5-18-37-21-24-8-3-6-23-7-4-9-25(22-37)32(23)24/h1-4,6-17,20H,5,18-19,21-22H2
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| InChIKey |
LCCSFQDTRXDOQO-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