General Information of the Compound
| Compound ID |
CP0521648
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| Compound Name |
(4-methyl-1,4-diazepan-1-yl)-(7-methyl-1H-indol-2-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 |
CN1CCCN(CC1)C(=O)c1cc2cccc(C)c2[nH]1
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| InChI |
InChI=1S/C16H21N3O/c1-12-5-3-6-13-11-14(17-15(12)13)16(20)19-8-4-7-18(2)9-10-19/h3,5-6,11,17H,4,7-10H2,1-2H3
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| InChIKey |
KLNSVJGRPLVWJT-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