General Information of the Compound
Compound ID |
CP0448039
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Compound Name |
(1R)-1-(4-chlorophenoxy)-3-piperidin-1-yl-9-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-carbazol-4-one
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Structure |
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Formula |
C31H38ClN3O2
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Molecular Weight |
520.117
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Canonical SMILES |
Clc1ccc(O[C@@H]2CC(N3CCCCC3)C(=O)c3c2n(CCCN2CCCCC2)c2ccccc32)cc1
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InChI |
InChI=1S/C31H38ClN3O2/c32-23-12-14-24(15-13-23)37-28-22-27(34-19-7-2-8-20-34)31(36)29-25-10-3-4-11-26(25)35(30(28)29)21-9-18-33-16-5-1-6-17-33/h3-4,10-15,27-28H,1-2,5-9,16-22H2/t27?,28-/m1/s1
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InChIKey |
KCDRUJOXDKLRND-PLYLYKGUSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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