General Information of the Compound
| Compound ID |
CP0469322
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| Compound Name |
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C19H21N3O
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| Molecular Weight |
307.397
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| Canonical SMILES |
C(Cc1c[nH]c2ccccc12)NCC1CNc2ccccc2O1
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| InChI |
InChI=1S/C19H21N3O/c1-2-6-17-16(5-1)14(11-21-17)9-10-20-12-15-13-22-18-7-3-4-8-19(18)23-15/h1-8,11,15,20-22H,9-10,12-13H2
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| InChIKey |
QUYCUSPRDZCQJY-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