General Information of the Compound
| Compound ID |
CP0114128
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| Compound Name |
(5,7-Dimethyl-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone
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| Structure |
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| Formula |
C16H21N3O
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| Molecular Weight |
271.364
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2cc(C)cc(C)c2[nH]1
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| InChI |
InChI=1S/C16H21N3O/c1-11-8-12(2)15-13(9-11)10-14(17-15)16(20)19-6-4-18(3)5-7-19/h8-10,17H,4-7H2,1-3H3
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| InChIKey |
PPSYUMKLHBHSLK-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