General Information of the Compound
| Compound ID |
CP0885658
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| Compound Name |
(2H-Benzo[1,4]oxazin-3-yl)-[5-(4-quinolin-2-yl-piperazin-1-yl)-pentyl]-amine hydrobromide
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| Structure |
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| Formula |
C26H32BrN5O
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| Molecular Weight |
510.48
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| Canonical SMILES |
Br.c1ccc2c(c1)N=C(NCCCCCN1CCN(c3ccc4ccccc4n3)CC1)CO2
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| InChI |
InChI=1S/C26H31N5O.BrH/c1(6-14-27-25-20-32-24-11-5-4-10-23(24)28-25)7-15-30-16-18-31(19-17-30)26-13-12-21-8-2-3-9-22(21)29-26;/h2-5,8-13H,1,6-7,14-20H2,(H,27,28);1H
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| InChIKey |
ILGHJOCBRVVBSU-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