General Information of the Compound
| Compound ID |
CP0579231
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C24H26ClF2N3O
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| Molecular Weight |
445.941
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCNCC3CCN(CC3)C(=O)c3ccc(F)c(Cl)c3)c2c1
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| InChI |
InChI=1S/C24H26ClF2N3O/c25-21-12-17(3-5-22(21)27)24(31)30-10-7-16(8-11-30)14-28-9-1-2-18-15-29-23-6-4-19(26)13-20(18)23/h3-6,12-13,15-16,28-29H,1-2,7-11,14H2
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| InChIKey |
GHTQLAJAELADED-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