General Information of the Compound
| Compound ID |
CP0521647
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| Compound Name |
(4-methyl-1,4-diazepan-1-yl)-[7-(trifluoromethyl)-1H-indol-2-yl]methanone
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| Structure |
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| Formula |
C16H18F3N3O
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| Molecular Weight |
325.334
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| Canonical SMILES |
CN1CCCN(CC1)C(=O)c1cc2cccc(c2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C16H18F3N3O/c1-21-6-3-7-22(9-8-21)15(23)13-10-11-4-2-5-12(14(11)20-13)16(17,18)19/h2,4-5,10,20H,3,6-9H2,1H3
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| InChIKey |
GHYKWLVVMWBBPJ-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