General Information of the Compound
| Compound ID |
CP0467431
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| Compound Name |
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
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| Structure |
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| Formula |
C26H32ClN3O2
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| Molecular Weight |
454.014
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| Canonical SMILES |
CC(=O)N1CCc2ccc(cc2CC1)C(=O)CCCN1CCN(CC1)c1ccccc1Cl
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| InChI |
InChI=1S/C26H32ClN3O2/c1-20(31)29-13-10-21-8-9-23(19-22(21)11-14-29)26(32)7-4-12-28-15-17-30(18-16-28)25-6-3-2-5-24(25)27/h2-3,5-6,8-9,19H,4,7,10-18H2,1H3
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| InChIKey |
BHDLLWNOZFHRNR-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