General Information of the Compound
| Compound ID |
CP0512176
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| Compound Name |
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
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| Formula |
C22H26ClN3O
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| Molecular Weight |
383.923
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)N1CCCCc2cc(Cl)ccc12
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| InChI |
InChI=1S/C22H26ClN3O/c1-17-6-2-3-8-20(17)24-12-14-25(15-13-24)22(27)26-11-5-4-7-18-16-19(23)9-10-21(18)26/h2-3,6,8-10,16H,4-5,7,11-15H2,1H3
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| InChIKey |
MAIQCWBTEGTVDC-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