General Information of the Compound
| Compound ID |
CP0876139
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| Compound Name |
6-(3-cyclopentyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy)-N-methylnicotinamide
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)nc1
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| InChI |
InChI=1S/C22H27N3O2/c1-23-22(26)18-7-9-21(24-15-18)27-20-8-6-16-10-12-25(13-11-17(16)14-20)19-4-2-3-5-19/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,23,26)
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| InChIKey |
NNOXITASPLLHMA-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