General Information of the Compound
| Compound ID |
CP0455293
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| Compound Name |
N-[[4-fluoro-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C26H26FN3O3
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| Molecular Weight |
447.51
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| Canonical SMILES |
Fc1ccc(CNC(=O)c2ccc3OCOc3c2)cc1-c1cccc(CN2CCNCC2)c1
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| InChI |
InChI=1S/C26H26FN3O3/c27-23-6-4-18(15-29-26(31)21-5-7-24-25(14-21)33-17-32-24)13-22(23)20-3-1-2-19(12-20)16-30-10-8-28-9-11-30/h1-7,12-14,28H,8-11,15-17H2,(H,29,31)
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| InChIKey |
IBKBJRQAVBTTTC-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