General Information of the Compound
| Compound ID |
CP0458899
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| Compound Name |
4-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole
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| Structure |
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| Formula |
C24H27N3O2
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| Molecular Weight |
389.499
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
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| InChI |
InChI=1S/C24H27N3O2/c1-16-24(17(2)29-26-16)20-7-9-23(25-15-20)28-22-8-6-18-10-12-27(21-4-3-5-21)13-11-19(18)14-22/h6-9,14-15,21H,3-5,10-13H2,1-2H3
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| InChIKey |
LMPFZGCXCSCBKN-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