General Information of the Compound
| Compound ID |
CP0494037
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| Compound Name |
1-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]ethanone
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| Structure |
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| Formula |
C16H19N3O2
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| Molecular Weight |
285.347
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
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| InChI |
InChI=1S/C16H19N3O2/c1-11(20)12-3-4-14-13(9-12)10-15(17-14)16(21)19-7-5-18(2)6-8-19/h3-4,9-10,17H,5-8H2,1-2H3
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| InChIKey |
HXHJNPBFAXAAJP-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