General Information of the Compound
| Compound ID |
CP0391048
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| Compound Name |
3-[4-[4-(2-fluoroethoxy)phenyl]butyl]-1,2,4,5-tetrahydro-3-benzazepine-5,8-diol
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| Structure |
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| Formula |
C22H28FNO3
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| Molecular Weight |
373.468
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| Canonical SMILES |
OC1CN(CCCCc2ccc(OCCF)cc2)CCc2cc(O)ccc12
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| InChI |
InChI=1S/C22H28FNO3/c23-11-14-27-20-7-4-17(5-8-20)3-1-2-12-24-13-10-18-15-19(25)6-9-21(18)22(26)16-24/h4-9,15,22,25-26H,1-3,10-14,16H2
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| InChIKey |
RPFRSXXUVPQMQP-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