General Information of the Compound
| Compound ID |
CP0258891
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| Compound Name |
7-fluoro-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
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| Structure |
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| Formula |
C26H28FN3O2
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| Molecular Weight |
433.527
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| Canonical SMILES |
Fc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C26H28FN3O2/c27-25-23(11-10-20-18-28-26(31)24(20)25)32-17-4-3-12-29-13-15-30(16-14-29)22-9-5-7-19-6-1-2-8-21(19)22/h1-2,5-11H,3-4,12-18H2,(H,28,31)
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| InChIKey |
MYHILGOTSGIDBG-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