General Information of the Compound
| Compound ID |
CP0429784
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| Compound Name |
(4R)-1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-yl]-4-hydroxypyrrolidin-2-one
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
O[C@H]1CN(C(=O)C1)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
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| InChI |
InChI=1S/C23H27N3O3/c27-20-13-23(28)26(15-20)19-5-7-22(24-14-19)29-21-6-4-16-8-10-25(18-2-1-3-18)11-9-17(16)12-21/h4-7,12,14,18,20,27H,1-3,8-11,13,15H2/t20-/m1/s1
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| InChIKey |
VQHKVYFDAVBUHF-HXUWFJFHSA-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