General Information of the Compound
| Compound ID |
CP0250917
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| Compound Name |
2-(1H-indol-3-yl)-N-((4-propyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)ethanamine
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| Structure |
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| Formula |
C22H27N3O
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| Molecular Weight |
349.478
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| Canonical SMILES |
CCCN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
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| InChI |
InChI=1S/C22H27N3O/c1-2-13-25-16-18(26-22-10-6-5-9-21(22)25)15-23-12-11-17-14-24-20-8-4-3-7-19(17)20/h3-10,14,18,23-24H,2,11-13,15-16H2,1H3
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| InChIKey |
DILXVXUGQQJSKB-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