General Information of the Compound
| Compound ID |
CP0504988
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| Compound Name |
2-[1-(cyclopropylmethyl)-5-(3-fluorophenyl)indol-3-yl]acetamide
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| Structure |
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| Formula |
C20H19FN2O
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| Molecular Weight |
322.383
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| Canonical SMILES |
NC(=O)Cc1cn(CC2CC2)c2ccc(cc12)-c1cccc(F)c1
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| InChI |
InChI=1S/C20H19FN2O/c21-17-3-1-2-14(8-17)15-6-7-19-18(9-15)16(10-20(22)24)12-23(19)11-13-4-5-13/h1-3,6-9,12-13H,4-5,10-11H2,(H2,22,24)
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| InChIKey |
BXAIEDIIEKQXHD-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