General Information of the Compound
| Compound ID |
CP0046139
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| Compound Name |
2-cyclopropyloxy-4-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]benzonitrile
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
O=C1OCc2cc(CCN3CCN(CCc4ccc(C#N)c(OC5CC5)c4)CC3)ccc12
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| InChI |
InChI=1S/C26H29N3O3/c27-17-21-3-1-20(16-25(21)32-23-4-5-23)8-10-29-13-11-28(12-14-29)9-7-19-2-6-24-22(15-19)18-31-26(24)30/h1-3,6,15-16,23H,4-5,7-14,18H2
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| InChIKey |
YVHUVIOZANOSIW-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