General Information of the Compound
| Compound ID |
CP0171301
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| Compound Name |
N-[(7-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C20H21ClFN3O
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| Molecular Weight |
373.859
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| Canonical SMILES |
CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc12
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| InChI |
InChI=1S/C20H21ClFN3O/c1-25-12-16(26-20-8-14(21)2-5-19(20)25)11-23-7-6-13-10-24-18-4-3-15(22)9-17(13)18/h2-5,8-10,16,23-24H,6-7,11-12H2,1H3
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| InChIKey |
RHAILIIWDRRHNA-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