General Information of the Compound
| Compound ID |
CP0512570
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| Compound Name |
2-fluoro-N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methyl]benzamide
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| Structure |
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| Formula |
C22H26FN3O
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| Molecular Weight |
367.468
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| Canonical SMILES |
CN1CCN(CC1)C1(CNC(=O)c2ccccc2F)Cc2ccccc2C1
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| InChI |
InChI=1S/C22H26FN3O/c1-25-10-12-26(13-11-25)22(14-17-6-2-3-7-18(17)15-22)16-24-21(27)19-8-4-5-9-20(19)23/h2-9H,10-16H2,1H3,(H,24,27)
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| InChIKey |
BNWRSPAGZHALJH-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