General Information of the Compound
| Compound ID |
CP0446960
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| Compound Name |
(5-chloro-4-fluoro-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
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| Structure |
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| Formula |
C15H17ClFN3O
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| Molecular Weight |
309.772
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| Canonical SMILES |
CN1CCCN(CC1)C(=O)c1cc2c(F)c(Cl)ccc2[nH]1
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| InChI |
InChI=1S/C15H17ClFN3O/c1-19-5-2-6-20(8-7-19)15(21)13-9-10-12(18-13)4-3-11(16)14(10)17/h3-4,9,18H,2,5-8H2,1H3
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| InChIKey |
LORHFJNUVYGRQK-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