General Information of the Compound
| Compound ID |
CP0378896
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| Compound Name |
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5,6-dimethoxy-3-methyl-1H-indene-2-carboxamide
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| Structure |
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| Formula |
C27H34FN3O3
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| Molecular Weight |
467.585
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| Canonical SMILES |
COc1cc2CC(C(=O)NCCCCN3CCN(CC3)c3ccccc3F)=C(C)c2cc1OC
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| InChI |
InChI=1S/C27H34FN3O3/c1-19-21-18-26(34-3)25(33-2)17-20(21)16-22(19)27(32)29-10-6-7-11-30-12-14-31(15-13-30)24-9-5-4-8-23(24)28/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3,(H,29,32)
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| InChIKey |
PMLIXGHEIFJDMD-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