General Information of the Compound
| Compound ID |
CP0558548
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| Compound Name |
5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
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| Formula |
C28H30N2O3
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| Molecular Weight |
442.559
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| Canonical SMILES |
O=C(N1c2ccccc2CCc2ccccc12)c1ccc(OCCCN2CCOCC2)cc1
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| InChI |
InChI=1S/C28H30N2O3/c31-28(24-12-14-25(15-13-24)33-19-5-16-29-17-20-32-21-18-29)30-26-8-3-1-6-22(26)10-11-23-7-2-4-9-27(23)30/h1-4,6-9,12-15H,5,10-11,16-21H2
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| InChIKey |
VFEFRFUXSHOSQX-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
Protein ID: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H