General Information of the Compound
| Compound ID |
CP0200874
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| Compound Name |
2-[2-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]ethyl]-5-fluoro-2,3-dihydroinden-1-one
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| Structure |
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| Formula |
C22H24ClFN2O
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| Molecular Weight |
386.898
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| Canonical SMILES |
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
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| InChI |
InChI=1S/C22H24ClFN2O/c23-18-2-5-20(6-3-18)26-10-1-9-25(12-13-26)11-8-16-14-17-15-19(24)4-7-21(17)22(16)27/h2-7,15-16H,1,8-14H2
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| InChIKey |
TUSPVTWVRDALHT-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor