General Information of the Compound
| Compound ID |
CP0479523
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| Compound Name |
2-chloro-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
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| Structure |
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| Formula |
C13H13ClN2O
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| Molecular Weight |
248.713
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| Canonical SMILES |
ClCC(=O)N1CCc2c(C1)[nH]c1ccccc21
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| InChI |
InChI=1S/C13H13ClN2O/c14-7-13(17)16-6-5-10-9-3-1-2-4-11(9)15-12(10)8-16/h1-4,15H,5-8H2
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| InChIKey |
FWBHHCPFZKGPPJ-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