General Information of the Compound
| Compound ID |
CP0548389
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| Compound Name |
5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone
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| Formula |
C28H30N2O2
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| Molecular Weight |
426.56
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| Canonical SMILES |
O=C(N1c2ccccc2CCc2ccccc12)c1ccc(OCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C28H30N2O2/c31-28(24-14-16-25(17-15-24)32-21-7-20-29-18-5-6-19-29)30-26-10-3-1-8-22(26)12-13-23-9-2-4-11-27(23)30/h1-4,8-11,14-17H,5-7,12-13,18-21H2
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| InChIKey |
XYMFBHODYQGKBI-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